UCSF

ZINC40312900

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 27 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) 1.97 8.63 -77.86 3 8 0 115 363.377 3
Mid Mid (pH 6-8) 1.97 8.17 -54.22 2 8 -1 114 362.369 3
Lo Low (pH 4.5-6) 1.97 9.09 -121.89 4 8 1 117 364.385 3

Activity (Go SEA)

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