UCSF

ZINC34684835

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 31 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) 2.99 10.2 -100.68 3 7 2 64 428.577 8
Mid Mid (pH 6-8) 2.99 7.98 -42.57 2 7 1 62 427.569 8

Activity (Go SEA)

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