UCSF

ZINC04155339

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 26 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) 4.39 -0.08 -10.09 1 6 0 64 418.291 8
Mid Mid (pH 6-8) 4.39 0.1 -33.23 2 6 1 66 419.299 8

Activity (Go SEA)

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