UCSF

ZINC34844272

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 26 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) 1.07 4.57 -50.02 5 6 1 100 356.446 8
Mid Mid (pH 6-8) 1.07 4.28 -14.67 4 6 0 99 355.438 8

Activity (Go SEA)

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