UCSF

ZINC43425421

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 3.14 5.84 -6.2 0 3 0 36 262.397 1
Mid Mid (pH 6-8) 3.14 7.91 -40.04 1 3 1 37 263.405 1

Activity (Go SEA)

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