UCSF

ZINC34677095

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 34 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) 1.94 3.22 -47.81 3 8 1 92 485.527 11
Mid Mid (pH 6-8) 1.94 0.92 -11.54 2 8 0 91 484.519 11

Activity (Go SEA)

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