UCSF

ZINC42825352

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 12 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) 0.41 2.69 -109.98 4 3 2 42 174.288 5
Hi High (pH 8-9.5) 0.41 -0.1 -1.88 2 3 0 33 172.272 5
Mid Mid (pH 6-8) 0.41 1.35 -35.69 3 3 1 38 173.28 5
Mid Mid (pH 6-8) 0.41 1.25 -35.47 3 3 1 38 173.28 5

Activity (Go SEA)

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