UCSF

ZINC34659402

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 2.65 6.57 -40.04 2 3 1 39 308.199 5
Hi High (pH 8-9.5) 2.65 5.11 -5.71 1 3 0 34 307.191 5
Lo Low (pH 4.5-6) 2.65 7.04 -92.15 3 3 2 40 309.207 5

Activity (Go SEA)

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