UCSF

ZINC42518031

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) -0.17 -0.33 -39.16 3 4 1 49 203.306 8
Hi High (pH 8-9.5) -0.17 -1.84 -4.13 2 4 0 45 202.298 8
Hi High (pH 8-9.5) -0.17 0.37 -31.4 3 4 1 46 203.306 8
Mid Mid (pH 6-8) -0.17 2.37 -36.76 3 4 1 53 203.306 8

Activity (Go SEA)

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