UCSF

ZINC26941428

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 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) 0.97 8.99 -96.43 2 6 0 82 421.419 3
Mid Mid (pH 6-8) -1.77 8.04 -72.02 3 6 1 85 422.427 2

Activity (Go SEA)

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