UCSF

ZINC32021247

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) -1.13 -0.7 -14.8 2 5 0 67 213.281 4
Mid Mid (pH 6-8) -1.13 1.63 -50.58 3 5 1 68 214.289 4

Activity (Go SEA)

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