UCSF

ZINC03897921

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2006 22 No

Other Names:

MFCD00855550

MFCD03088214

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) 4.01 9.1 -10.18 1 4 0 47 309.394 5
Ref Reference (pH 7) 4.94 9.3 -9.49 1 4 0 50 309.394 4
Lo Low (pH 4.5-6) 4.01 9.44 -29.34 2 4 1 48 310.402 5
Lo Low (pH 4.5-6) 4.94 9.29 -9.82 1 4 0 50 309.394 4

Activity (Go SEA)

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