UCSF

ZINC08120095

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2006 22 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) 4.05 9.65 -45.83 2 3 1 34 338.258 6
Mid Mid (pH 6-8) 4.05 7.41 -9.33 1 3 0 32 337.25 6

Activity (Go SEA)

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