UCSF

ZINC37230958

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 5.34 8.68 -4.41 1 3 0 30 289.467 3
Mid Mid (pH 6-8) 5.34 8.81 -26.5 2 3 1 31 290.475 3

Activity (Go SEA)

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