UCSF

ZINC37242456

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 13 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) 1.67 5.38 -31.66 2 2 1 16 183.319 4
Hi High (pH 8-9.5) 1.67 2.92 -0.62 1 2 0 15 182.311 4
Lo Low (pH 4.5-6) 1.67 4.11 -35.46 2 2 1 20 183.319 4
Lo Low (pH 4.5-6) 1.67 6.56 -106.28 3 2 2 21 184.327 4

Activity (Go SEA)

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