UCSF

ZINC44683990

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 1.74 4.33 -36.26 2 2 1 20 183.319 4
Hi High (pH 8-9.5) 1.74 3.27 -0.72 1 2 0 15 182.311 4
Mid Mid (pH 6-8) 1.74 6.73 -103.78 3 2 2 21 184.327 4
Mid Mid (pH 6-8) 1.74 5.56 -29.13 2 2 1 16 183.319 4

Activity (Go SEA)

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