UCSF

ZINC08018745

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2006 17 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) 2.86 2.84 -6.95 1 4 0 51 268.725 3
Lo Low (pH 4.5-6) 2.86 3.56 -34.22 2 4 1 52 269.733 3

Activity (Go SEA)

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