UCSF

ZINC14229786

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 24 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) 5.52 8.11 -10.88 1 4 0 59 360.504 5
Hi High (pH 8-9.5) 5.52 8.16 -46.2 0 4 -1 61 359.496 5

Activity (Go SEA)

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