UCSF

ZINC32587372

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.72 8.48 -12.71 1 3 0 38 264.328 4
Mid Mid (pH 6-8) 2.72 8.96 -39.97 2 3 1 39 265.336 4

Activity (Go SEA)

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