UCSF

ZINC34824247

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 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) 1.20 5.7 -37.92 2 4 1 38 211.333 5
Hi High (pH 8-9.5) 1.20 4.32 -4.62 1 4 0 33 210.325 5
Lo Low (pH 4.5-6) 1.20 5.8 -91.15 3 4 2 39 212.341 5

Activity (Go SEA)

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