UCSF

ZINC34561230

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 No

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) 2.41 7.2 -8.39 0 3 0 39 205.257 5
Mid Mid (pH 6-8) 2.41 7.01 -37.21 1 3 1 40 206.265 5

Activity (Go SEA)

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