UCSF

ZINC37825087

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 No

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) 0.26 5.92 -98.1 3 5 2 41 302.488 5
Mid Mid (pH 6-8) 0.26 7.05 -175.96 4 5 3 46 303.496 5

Activity (Go SEA)

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