UCSF

ZINC40313242

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.63 9.1 -26.91 2 8 0 100 391.431 4
Ref Reference (pH 7) 2.63 9.58 -54.22 3 8 1 101 392.439 4
Mid Mid (pH 6-8) 2.63 9.57 -53.64 3 8 1 101 392.439 4
Mid Mid (pH 6-8) 2.63 9.11 -20.6 2 8 0 100 391.431 4
Lo Low (pH 4.5-6) 2.63 10.03 -102.11 4 8 2 103 393.447 4
Lo Low (pH 4.5-6) 2.63 10.03 -102.22 4 8 2 103 393.447 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )