UCSF

ZINC31960978

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 1.45 4.05 -55.14 5 6 1 91 329.424 9
Mid Mid (pH 6-8) 1.45 4.52 -97.45 6 6 2 92 330.432 9

Activity (Go SEA)

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