UCSF

ZINC37112976

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.98 8.27 -31.74 3 3 1 40 279.448 9
Mid Mid (pH 6-8) 1.98 8.37 -125.17 4 3 2 41 280.456 9
Mid Mid (pH 6-8) 1.98 6.24 -42.14 3 3 1 40 279.448 9

Activity (Go SEA)

Rings

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