UCSF

ZINC19560820

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 26 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) 3.45 11.39 -41.11 2 5 1 50 377.578 4
Hi High (pH 8-9.5) 3.26 9.3 -30.7 1 5 0 56 376.57 4
Mid Mid (pH 6-8) 3.45 11.75 -106.03 3 5 2 51 378.586 4
Mid Mid (pH 6-8) 3.26 10.68 -79.15 2 5 1 57 377.578 4

Activity (Go SEA)

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