UCSF

ZINC36986888

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 12 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) 0.02 -0.72 -33.95 4 4 1 64 172.252 3
Mid Mid (pH 6-8) 0.02 1.31 -100.83 5 4 2 65 173.26 3

Activity (Go SEA)

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