UCSF

ZINC45704343

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 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) 2.57 4.65 -35.63 3 4 1 49 289.484 12
Mid Mid (pH 6-8) 2.57 4.95 -30.6 3 4 1 46 289.484 12
Lo Low (pH 4.5-6) 2.57 6.34 -110.88 4 4 2 51 290.492 12

Activity (Go SEA)

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