UCSF

ZINC15767812

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 16 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) 2.36 5.52 -21.44 1 3 0 46 230.654 0
Hi High (pH 8-9.5) 2.82 4.2 -46.59 0 3 -1 49 229.646 0

Activity (Go SEA)

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