UCSF

ZINC26840994

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 28 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) 5.94 14.91 -11.51 0 3 0 27 370.496 8
Mid Mid (pH 6-8) 5.94 15.3 -34.76 1 3 1 28 371.504 8

Activity (Go SEA)

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