UCSF

ZINC35426022

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 4.08 12.72 -14.02 0 5 0 49 378.52 3
Mid Mid (pH 6-8) 4.08 13.08 -37.09 1 5 1 51 379.528 3

Activity (Go SEA)

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