UCSF

ZINC16994598

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 30 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) 3.00 15.02 -26.53 0 7 0 80 440.29 3
Hi High (pH 8-9.5) 3.00 15.74 -54.84 0 7 -1 82 439.282 3
Mid Mid (pH 6-8) 3.00 16.24 -34.16 2 7 1 85 441.298 3
Mid Mid (pH 6-8) 3.00 15.36 -48.91 1 7 1 82 441.298 3
Lo Low (pH 4.5-6) 3.00 15.5 -35.01 1 7 1 82 441.298 3

Activity (Go SEA)

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