UCSF

ZINC15840310

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2008 22 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) 3.86 9.29 -7.57 0 3 0 21 311.816 2
Mid Mid (pH 6-8) 3.86 9.71 -26.21 1 3 1 22 312.824 2

Activity (Go SEA)

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