UCSF

ZINC27524547

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 26 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) 0.84 8.33 -114.08 1 6 0 70 377.441 3
Mid Mid (pH 6-8) 0.84 5.95 -71.9 0 6 -1 69 376.433 3

Activity (Go SEA)

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