UCSF

ZINC20547145

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 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) 1.63 3.93 -9.57 1 4 0 55 282.13 3
Lo Low (pH 4.5-6) 1.63 4.37 -46.85 2 4 1 56 283.138 3

Activity (Go SEA)

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