UCSF

ZINC32119817

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) 1.03 1.29 -10.14 2 5 0 64 272.304 5
Mid Mid (pH 6-8) 1.03 2.69 -45.34 3 5 1 68 273.312 5

Activity (Go SEA)

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