UCSF

ZINC37213875

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 1.47 4.92 -36.48 2 3 1 23 250.41 5
Mid Mid (pH 6-8) 1.47 5.62 -29.92 2 3 1 20 250.41 5
Mid Mid (pH 6-8) 1.47 7.9 -79.47 3 3 2 21 251.418 5
Mid Mid (pH 6-8) 1.47 6.72 -115.5 3 3 2 24 251.418 5

Activity (Go SEA)

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