UCSF

ZINC02459057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 27 No

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) 1.09 3.23 -68.63 2 7 -1 110 368.365 6
Mid Mid (pH 6-8) 1.53 -4.66 -31.44 3 7 0 107 369.373 5
Mid Mid (pH 6-8) 0.50 -4.43 -24.63 2 7 0 104 369.373 6

Activity (Go SEA)

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