UCSF

ZINC16676892

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 18 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) 1.57 5.07 -9.2 1 5 0 63 263.322 3
Ref Reference (pH 7) 1.57 5.05 -8.57 1 5 0 63 263.322 3
Ref Reference (pH 7) 2.10 4.15 -16.96 1 5 0 63 263.322 4
Hi High (pH 8-9.5) 2.10 4.02 -42.22 0 5 -1 65 262.314 4

Activity (Go SEA)

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