UCSF

ZINC42420229

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) 0.63 6.82 -75.99 2 5 0 77 254.33 2
Hi High (pH 8-9.5) 0.63 5.11 -61 1 5 -1 72 253.322 2
Lo Low (pH 4.5-6) 0.63 4.85 -45.35 3 5 1 74 255.338 2

Activity (Go SEA)

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