UCSF

ZINC42521257

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.10 1.88 -51.07 0 6 -1 81 263.339 5
Mid Mid (pH 6-8) 0.10 4.1 -76.15 1 6 0 82 264.347 5

Activity (Go SEA)

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