UCSF

ZINC27789156

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 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) 4.59 13.79 -46.26 1 3 1 22 342.466 4
Mid Mid (pH 6-8) 4.59 11.25 -9.7 0 3 0 21 341.458 4

Activity (Go SEA)

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