UCSF

ZINC41195376

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 3.79 8.01 -32.44 2 3 1 39 303.451 6
Mid Mid (pH 6-8) 3.79 7.34 -6.81 1 3 0 34 302.443 6

Activity (Go SEA)

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