UCSF

ZINC32156901

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 4.35 9.06 -36.37 2 2 1 26 294.777 6
Mid Mid (pH 6-8) 4.35 7.63 -5.19 1 2 0 21 293.769 6

Activity (Go SEA)

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