UCSF

ZINC44691887

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 0.61 1.99 -37.64 3 3 1 38 187.307 5
Hi High (pH 8-9.5) 0.61 1.63 -32.62 3 3 1 38 187.307 5
Lo Low (pH 4.5-6) 0.61 2.96 -99.9 4 3 2 42 188.315 5

Activity (Go SEA)

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