UCSF

ZINC01113999

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 32 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) 3.11 -0.65 -14.15 2 8 0 98 451.552 10

Activity (Go SEA)

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