UCSF

ZINC06729218

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 28 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) 4.25 9.26 -15.82 2 5 0 67 395.528 9
Mid Mid (pH 6-8) 4.25 9.74 -35.53 3 5 1 68 396.536 9

Activity (Go SEA)

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