UCSF

ZINC58405353

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 24 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) -0.04 4.97 -110.51 4 7 2 72 339.484 7
Hi High (pH 8-9.5) -0.04 3.48 -38.27 3 7 1 67 338.476 7
Mid Mid (pH 6-8) -0.04 2.44 -44 3 7 1 70 338.476 7
Mid Mid (pH 6-8) -0.04 5.47 -43.11 3 7 1 74 338.476 7

Activity (Go SEA)

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