UCSF

ZINC02083239

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 16 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) -3.04 -5.34 -35.6 5 8 0 137 222.208 3
Lo Low (pH 4.5-6) -5.22 -5.04 -80.06 6 8 1 139 223.216 3

Activity (Go SEA)

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