UCSF

ZINC46465674

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 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) 2.00 5.43 -8.63 0 4 0 33 280.343 5
Mid Mid (pH 6-8) 2.00 7.65 -44.05 1 4 1 34 281.351 5

Activity (Go SEA)

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