UCSF

ZINC37240709

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 16 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) 3.54 6.46 -31.05 2 2 1 16 225.4 3
Hi High (pH 8-9.5) 3.54 4.12 -0.45 1 2 0 15 224.392 3
Lo Low (pH 4.5-6) 3.54 7.63 -108.49 3 2 2 21 226.408 3
Lo Low (pH 4.5-6) 3.54 5.29 -35.95 2 2 1 20 225.4 3

Activity (Go SEA)

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