UCSF

ZINC48695258

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 21 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) 2.93 8.58 -38.8 1 4 1 34 291.415 6
Mid Mid (pH 6-8) 2.93 8.86 -44.49 1 4 1 34 291.415 6
Mid Mid (pH 6-8) 2.93 6.6 -5.53 0 4 0 33 290.407 6

Activity (Go SEA)

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