UCSF

ZINC37240208

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) 2.00 5.58 -32.11 2 2 1 16 183.319 5
Hi High (pH 8-9.5) 2.00 3.23 -0.73 1 2 0 15 182.311 5
Lo Low (pH 4.5-6) 2.00 4.43 -36.57 2 2 1 20 183.319 5
Lo Low (pH 4.5-6) 2.00 6.77 -107.18 3 2 2 21 184.327 5

Activity (Go SEA)

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