UCSF

ZINC45620184

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 1.42 6.34 -91.82 3 3 2 29 230.396 6
Hi High (pH 8-9.5) 1.42 4.18 -34.26 2 3 1 28 229.388 6

Activity (Go SEA)

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