UCSF

ZINC19257649

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 19 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) 0.17 3.52 -52.63 3 3 1 40 275.294 4
Hi High (pH 8-9.5) 0.17 3.19 -4.67 2 3 0 38 274.286 4
Lo Low (pH 4.5-6) 0.17 5.46 -144.53 4 3 2 41 276.302 4

Activity (Go SEA)

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