UCSF

ZINC02721327

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 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) 4.75 0.27 -10.75 1 4 0 46 369.468 5
Mid Mid (pH 6-8) 1.34 0.49 -34.23 2 4 1 48 370.476 5

Activity (Go SEA)

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