UCSF

ZINC44685467

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 3.40 8.7 -44.85 2 2 1 20 291.434 7
Lo Low (pH 4.5-6) 3.40 11.12 -121.27 3 2 2 21 292.442 7
Lo Low (pH 4.5-6) 3.40 10.36 -33.74 2 2 1 16 291.434 7

Activity (Go SEA)

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