UCSF

ZINC37143830

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 No

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) 1.89 3.58 -14.77 2 4 0 48 280.393 6
Mid Mid (pH 6-8) 1.89 5.84 -41.95 3 4 1 49 281.401 6

Activity (Go SEA)

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