UCSF

ZINC38003042

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 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) 4.36 7.65 -6.65 1 3 0 38 334.279 7
Mid Mid (pH 6-8) 4.36 8.42 -33.95 2 3 1 43 335.287 7

Activity (Go SEA)

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