UCSF

ZINC53136091

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 3.07 8.44 -46.47 2 2 1 29 241.358 6
Hi High (pH 8-9.5) 3.07 7.68 -4 1 2 0 25 240.35 6
Lo Low (pH 4.5-6) 3.07 9.08 -101.27 3 2 2 31 242.366 6

Activity (Go SEA)

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