UCSF

ZINC38559828

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 18 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) 3.37 9.16 -43.36 1 3 1 21 262.402 3
Mid Mid (pH 6-8) 3.37 6.95 -6.68 0 3 0 19 261.394 3

Activity (Go SEA)

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