UCSF

ZINC44683833

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 1.35 3 -47.2 3 4 1 49 263.361 5
Lo Low (pH 4.5-6) 1.35 5.34 -119.57 4 4 2 51 264.369 5
Lo Low (pH 4.5-6) 1.35 4.13 -37.33 3 4 1 46 263.361 5

Activity (Go SEA)

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