UCSF

ZINC45944448

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 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) 2.54 5.33 -12.13 1 7 0 79 411.568 11
Mid Mid (pH 6-8) 2.54 6.62 -52.64 2 7 1 84 412.576 11

Activity (Go SEA)

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