UCSF

ZINC31903395

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 27 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) 0.65 5.14 -20.32 1 8 0 90 368.393 5
Mid Mid (pH 6-8) 0.65 5.54 -40.45 2 8 1 91 369.401 5

Activity (Go SEA)

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