UCSF

ZINC34180985

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2009 15 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) 1.97 4.99 -50.47 1 5 -1 78 208.241 6
Mid Mid (pH 6-8) 1.97 5.16 -40.68 2 5 0 79 209.249 6

Activity (Go SEA)

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