UCSF

ZINC42852351

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 25 No

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) 4.40 5.85 -32.19 5 5 1 85 346.495 11
Mid Mid (pH 6-8) 4.40 5.73 -44.76 5 5 1 86 346.495 11
Mid Mid (pH 6-8) 4.40 5.47 -7.41 4 5 0 84 345.487 11
Lo Low (pH 4.5-6) 4.40 6.13 -109.96 6 5 2 87 347.503 11

Activity (Go SEA)

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