UCSF

ZINC64034277

Substance Information

In ZINC since Heavy atoms Benign functionality
June 10th, 2011 18 Yes

Other Names:

MFCD16659837

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) 1.74 5.91 -37.6 1 3 1 17 247.362 3
Hi High (pH 8-9.5) 1.74 3.47 -3.4 0 3 0 16 246.354 3

Activity (Go SEA)

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