UCSF

ZINC11638280

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 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) 1.10 3.9 -12.72 1 3 0 42 150.181 2
Lo Low (pH 4.5-6) 1.10 3.65 -28.19 2 3 1 43 151.189 2

Activity (Go SEA)

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