UCSF

ZINC42455846

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 19 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) 1.87 7.61 -58.6 0 6 -1 84 257.273 4
Mid Mid (pH 6-8) 1.87 8.1 -51.7 1 6 0 86 258.281 4

Activity (Go SEA)

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