UCSF

ZINC19225417

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 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) 2.30 10.17 -84.24 3 6 2 54 387.572 7
Mid Mid (pH 6-8) 2.30 7.87 -40.65 2 6 1 53 386.564 7

Activity (Go SEA)

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