UCSF

ZINC32401229

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2009 23 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) 1.71 8.58 -46.53 2 4 1 46 310.421 5
Mid Mid (pH 6-8) 1.71 6.2 -9.83 1 4 0 45 309.413 5

Activity (Go SEA)

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