UCSF

ZINC36950472

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 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) 0.42 1.84 -81.68 4 4 2 45 231.384 6
Mid Mid (pH 6-8) 0.42 -0.43 -36.68 3 4 1 43 230.376 6

Activity (Go SEA)

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