UCSF

ZINC43912869

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 16 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) 1.13 4.09 -98.34 3 4 2 40 234.384 10
Hi High (pH 8-9.5) 1.13 1.27 -3.65 1 4 0 34 232.368 10
Mid Mid (pH 6-8) 1.13 2.95 -29.53 2 4 1 35 233.376 10
Mid Mid (pH 6-8) 1.13 2.34 -35.27 2 4 1 38 233.376 10

Activity (Go SEA)

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