UCSF

ZINC34665294

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 19 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) 3.05 9.65 -44.39 2 3 1 34 252.341 3
Hi High (pH 8-9.5) 3.05 8.58 -7.02 1 3 0 30 251.333 3
Lo Low (pH 4.5-6) 3.05 10.14 -87.15 3 3 2 36 253.349 3

Activity (Go SEA)

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