UCSF

ZINC04157739

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 30 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) 4.70 1.86 -11.27 1 5 0 64 436.455 9
Mid Mid (pH 6-8) 4.70 2.11 -38.68 2 5 1 65 437.463 9

Activity (Go SEA)

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