UCSF

ZINC16666335

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 28 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) 3.29 4.98 -20.69 1 7 0 101 422.528 4
Hi High (pH 8-9.5) 3.29 5.05 -56.11 0 7 -1 103 421.52 4

Activity (Go SEA)

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