UCSF

ZINC06791745

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 22 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) 4.51 10.28 -44.03 0 3 -1 53 293.342 3
Mid Mid (pH 6-8) 4.51 9.62 -15.79 1 3 0 50 294.35 3

Activity (Go SEA)

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