UCSF

ZINC38570264

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 34 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) 8.01 17.13 -35.33 2 3 1 38 469.778 14
Mid Mid (pH 6-8) 8.01 15.19 -5.62 1 3 0 36 468.77 14
Lo Low (pH 4.5-6) 8.01 17.64 -100.34 3 3 2 39 470.786 14

Activity (Go SEA)

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