UCSF

ZINC04343123

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 34 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) 1.05 11.55 -25.15 1 11 0 152 472.402 9
Mid Mid (pH 6-8) 1.05 12.54 -71.05 0 11 -1 155 471.394 9

Activity (Go SEA)

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