UCSF

ZINC20467674

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 23 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) 3.16 1.89 -32.17 2 6 -1 96 411.179 5
Mid Mid (pH 6-8) 3.16 1.84 -12.29 3 6 0 94 412.187 5

Activity (Go SEA)

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