UCSF

ZINC37001657

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 2.53 6.06 -87.44 4 4 2 50 279.428 2
Hi High (pH 8-9.5) 2.72 4.02 -46.15 3 4 1 56 278.42 2

Activity (Go SEA)

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