UCSF

ZINC43972493

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 17 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) 3.69 8.99 -99.35 3 2 2 21 242.451 9
Hi High (pH 8-9.5) 3.69 8.28 -26.17 2 2 1 16 241.443 9
Hi High (pH 8-9.5) 3.69 7.34 -33.59 2 2 1 20 241.443 9

Activity (Go SEA)

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