UCSF

ZINC55292145

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 24 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) 4.18 10.38 -3.94 0 3 0 10 323.484 6
Mid Mid (pH 6-8) 4.18 10.49 -15.42 1 3 0 11 324.492 6
Mid Mid (pH 6-8) 4.18 12.7 -22.1 2 3 0 12 325.5 6

Activity (Go SEA)

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