UCSF

ZINC34699249

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 38 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) 6.61 14.54 -11.68 0 5 0 42 512.694 10
Mid Mid (pH 6-8) 6.61 16.98 -53.35 1 5 1 43 513.702 10

Activity (Go SEA)

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