UCSF

ZINC39919192

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 21 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) 0.47 3.6 -12.82 0 6 0 53 289.335 2
Mid Mid (pH 6-8) 0.47 5.95 -48.82 1 6 1 54 290.343 2

Activity (Go SEA)

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