UCSF

ZINC41672172

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 13 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) 1.82 3.88 -6.75 1 3 0 38 199.275 5
Mid Mid (pH 6-8) 1.82 5.1 -35.67 2 3 1 43 200.283 5

Activity (Go SEA)

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