UCSF

ZINC17027519

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 26 Yes

Other Names:

MFCD03767286

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) 3.45 6.6 -10.51 2 6 0 79 375.391 4
Ref Reference (pH 7) 3.07 3.47 -12.68 2 6 0 82 375.391 4
Hi High (pH 8-9.5) 3.07 4.8 -40.08 1 6 -1 85 374.383 4

Activity (Go SEA)

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