UCSF

ZINC44722331

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 15 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) 0.86 3.1 -30.56 3 3 1 37 211.329 3
Lo Low (pH 4.5-6) 0.86 4.09 -100.32 4 3 2 41 212.337 3
Lo Low (pH 4.5-6) 0.86 1.75 -33.04 3 3 1 40 211.329 3

Activity (Go SEA)

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