UCSF

ZINC18010312

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 27 Yes

Other Names:

MFCD02167579

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) 1.05 7.56 -23.79 3 9 0 120 370.413 3
Mid Mid (pH 6-8) 1.51 6.04 -75.52 2 9 -1 123 369.405 3

Activity (Go SEA)

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