UCSF

ZINC37079073

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 2.03 5 -8.02 1 3 0 36 216.284 3
Mid Mid (pH 6-8) 2.03 5.45 -22.33 2 3 1 38 217.292 3

Activity (Go SEA)

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