UCSF

ZINC08701091

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 12 Yes

Other Names:

MFCD06637846

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) 2.80 6.49 -3.36 0 1 0 13 163.264 3
Lo Low (pH 4.5-6) 2.80 6.77 -29.47 1 1 1 14 164.272 3

Activity (Go SEA)

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