UCSF

ZINC19872473

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 17 Yes

Other Names:

MFCD08235441

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) 1.03 3.23 -43.91 2 4 1 38 237.323 5
Mid Mid (pH 6-8) 1.03 4.38 -38.86 2 4 1 35 237.323 5

Activity (Go SEA)

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