UCSF

ZINC23249153

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 24 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) 0.80 3.76 -52.72 3 7 1 83 348.452 6
Hi High (pH 8-9.5) 0.80 3.69 -54.23 3 7 1 83 348.452 6
Mid Mid (pH 6-8) 1.25 1.09 -47.39 2 7 0 86 347.444 6
Mid Mid (pH 6-8) 0.80 1.52 -16.3 2 7 0 81 347.444 6

Activity (Go SEA)

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