UCSF

ZINC36790190

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 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) 6.48 7.37 -135.48 4 2 2 32 322.44 8
Hi High (pH 8-9.5) 6.48 6.99 -35.49 3 2 1 30 321.432 8
Mid Mid (pH 6-8) 6.48 6.18 -47.41 3 2 1 31 321.432 8

Activity (Go SEA)

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