UCSF

ZINC34699110

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 36 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) 6.20 14.02 -37.56 2 5 1 54 487.664 9
Mid Mid (pH 6-8) 6.20 11.46 -10.06 1 5 0 53 486.656 9

Activity (Go SEA)

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