UCSF

ZINC60255552

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 13 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) -0.33 2.01 -5.9 2 4 0 65 180.207 4
Mid Mid (pH 6-8) -0.33 2.28 -38.41 3 4 1 67 181.215 4
Lo Low (pH 4.5-6) -0.33 2.39 -36.53 3 4 1 66 181.215 4

Activity (Go SEA)

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