UCSF

ZINC37096927

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.01 6.56 -115.02 4 3 2 41 250.386 7
Mid Mid (pH 6-8) 2.01 4.13 -47.33 3 3 1 40 249.378 7
Mid Mid (pH 6-8) 2.01 6.5 -29.05 3 3 1 40 249.378 7

Activity (Go SEA)

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