UCSF

ZINC19793899

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 27 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) 1.61 3.55 -67.3 2 8 0 107 373.409 7
Mid Mid (pH 6-8) 1.61 3.13 -52.46 1 8 -1 106 372.401 7
Mid Mid (pH 6-8) 1.61 5.49 -53.36 2 8 0 107 373.409 7

Activity (Go SEA)

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