UCSF

ZINC41377111

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 19 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) 0.61 1.87 -43.52 3 5 1 55 265.333 3
Lo Low (pH 4.5-6) 0.61 1.07 -43.26 3 5 1 59 265.333 3

Activity (Go SEA)

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