UCSF

ZINC21995852

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 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) 3.91 7.18 -7.48 1 2 0 25 220.275 2
Lo Low (pH 4.5-6) 3.91 7.6 -33.56 2 2 1 26 221.283 2

Activity (Go SEA)

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