UCSF

ZINC09329452

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 29 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) 4.30 5.19 -13.29 2 6 0 82 417.472 6
Ref Reference (pH 7) 4.67 8.39 -10.9 2 6 0 79 417.472 6
Mid Mid (pH 6-8) 4.30 6.67 -40.11 1 6 -1 85 416.464 6

Activity (Go SEA)

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