UCSF

ZINC37348198

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 4.51 7.33 -5.78 3 3 0 55 298.217 4
Mid Mid (pH 6-8) 4.51 7.45 -26.45 4 3 1 56 299.225 4

Activity (Go SEA)

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