UCSF

ZINC07586807

Substance Information

In ZINC since Heavy atoms Benign functionality
June 6th, 2006 23 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) 3.75 7.03 -12.47 1 4 0 52 307.349 4
Lo Low (pH 4.5-6) 3.75 7.35 -37.36 2 4 1 53 308.357 4

Activity (Go SEA)

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