UCSF

ZINC34094762

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 25 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) -1.01 7.22 -107.37 3 7 0 102 349.362 4
Mid Mid (pH 6-8) -3.75 5 -89.63 4 7 1 105 350.37 3

Activity (Go SEA)

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