UCSF

ZINC37714751

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 13 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) 0.30 3.16 -82.01 5 3 2 54 181.283 5
Hi High (pH 8-9.5) 0.30 2.72 -46.54 4 3 1 53 180.275 5

Activity (Go SEA)

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