UCSF

ZINC40576772

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 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) 4.60 12.02 -44.32 2 4 1 37 407.365 7
Mid Mid (pH 6-8) 4.60 9.81 -9.17 1 4 0 36 406.357 7

Activity (Go SEA)

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