UCSF

ZINC12671365

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 11 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) 1.62 3.24 -46.1 1 3 -1 52 156.205 2
Lo Low (pH 4.5-6) 1.62 1.3 -5.78 2 3 0 49 157.213 2

Activity (Go SEA)

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