UCSF

ZINC06653438

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 27 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) 2.86 7.02 -16.51 2 7 0 95 364.405 4
Mid Mid (pH 6-8) 3.31 5.22 -55.95 1 7 -1 98 363.397 4

Activity (Go SEA)

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