UCSF

ZINC04086485

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 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) 2.92 11.03 -16.48 2 8 0 90 405.458 5
Mid Mid (pH 6-8) 3.10 11.47 -56.14 3 8 1 95 406.466 5

Activity (Go SEA)

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