UCSF

ZINC43247187

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 Yes

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) 2.56 4.88 -42.12 3 2 1 31 253.435 3
Hi High (pH 8-9.5) 2.56 6.78 -29.42 3 2 1 30 253.435 3
Hi High (pH 8-9.5) 2.56 4.52 -1.5 2 2 0 29 252.427 3
Lo Low (pH 4.5-6) 2.56 7.06 -109.23 4 2 2 32 254.443 3

Activity (Go SEA)

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