UCSF

ZINC32233028

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 17 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) 2.31 4.45 -3.57 3 2 0 38 224.307 1
Mid Mid (pH 6-8) 2.31 5.83 -44.41 4 2 1 43 225.315 1

Activity (Go SEA)

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