UCSF

ZINC37221669

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) 1.96 7.96 -164.04 4 4 3 29 299.527 5
Mid Mid (pH 6-8) 1.96 7.38 -188.64 4 4 3 29 299.527 5
Mid Mid (pH 6-8) 1.96 5.6 -94.35 3 4 2 28 298.519 5

Activity (Go SEA)

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