UCSF

ZINC42680891

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 20 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) 2.40 7.85 -44.17 1 3 1 25 279.379 5
Mid Mid (pH 6-8) 2.40 7.84 -42.65 1 3 1 25 279.379 5
Lo Low (pH 4.5-6) 2.40 10.09 -111.57 2 3 2 26 280.387 5

Activity (Go SEA)

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