UCSF

ZINC34225220

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 17 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) 2.19 9.1 -34.73 1 3 1 36 227.287 2
Mid Mid (pH 6-8) 2.19 8.58 -12.17 0 3 0 35 226.279 2

Activity (Go SEA)

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