UCSF

ZINC10301237

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2007 26 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) 1.83 -4.79 -14.26 1 7 0 88 377.466 8
Lo Low (pH 4.5-6) 1.83 -4.68 -47.72 2 7 1 89 378.474 8

Activity (Go SEA)

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