UCSF

ZINC08714956

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 21 Yes

Other Names:

MFCD09056257

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) 3.75 -2.24 -12.1 1 4 0 59 304.415 4
Hi High (pH 8-9.5) 3.75 -1.66 -46.38 0 4 -1 61 303.407 4
Lo Low (pH 4.5-6) 3.75 -1.83 -32.83 2 4 1 60 305.423 4

Activity (Go SEA)

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