UCSF

ZINC08714967

Substance Information

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

Other Names:

MFCD09056267

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) 3.37 -3.72 -12.7 1 5 0 68 371.256 5
Hi High (pH 8-9.5) 3.37 -3.26 -47.12 0 5 -1 70 370.248 5
Lo Low (pH 4.5-6) 3.37 -3.28 -32.91 2 5 1 69 372.264 5

Activity (Go SEA)

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