UCSF

ZINC59807190

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 17 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) -0.85 0.98 -19.72 2 7 0 93 236.231 1
Hi High (pH 8-9.5) -0.40 -1.09 -52.87 1 7 -1 96 235.223 1

Activity (Go SEA)

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