UCSF

ZINC34991096

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 1.98 6.46 -36.32 2 3 1 23 248.394 6
Mid Mid (pH 6-8) 1.98 7.75 -35.95 2 3 1 20 248.394 6
Lo Low (pH 4.5-6) 1.98 8.92 -115 3 3 2 24 249.402 6

Activity (Go SEA)

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