UCSF

ZINC40135202

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 31 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) 0.78 5.75 -24.63 1 9 0 97 422.441 4
Mid Mid (pH 6-8) 0.78 7.96 -67.51 2 9 1 98 423.449 4

Activity (Go SEA)

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