UCSF

ZINC50373086

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2010 17 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) 2.59 6.23 -41.31 2 2 1 26 242.289 4
Mid Mid (pH 6-8) 2.59 5.09 -7.39 1 2 0 21 241.281 4

Activity (Go SEA)

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