UCSF

ZINC34602040

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) 1.85 9.55 -54.07 2 3 1 33 296.369 3
Mid Mid (pH 6-8) 1.85 7.33 -8.56 1 3 0 32 295.361 3

Activity (Go SEA)

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