UCSF

ZINC02040463

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 22 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) 2.71 1.83 -47.16 2 6 -1 103 299.258 2
Mid Mid (pH 6-8) 2.71 0.78 -16.05 3 6 0 100 300.266 2

Activity (Go SEA)

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