UCSF

ZINC03358113

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 23 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) 4.20 13.38 -11.86 0 4 0 43 322.799 2
Ref Reference (pH 7) 4.20 14.05 -11.35 1 4 0 46 322.799 2
Mid Mid (pH 6-8) 4.20 14.22 -46.49 2 4 1 47 323.807 2
Lo Low (pH 4.5-6) 4.20 13.69 -35.43 1 4 1 45 323.807 2
Lo Low (pH 4.5-6) 4.20 13.9 -31.25 1 4 1 44 323.807 2

Activity (Go SEA)

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