UCSF

ZINC44684681

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) 2.98 9.39 -32.82 2 2 1 16 324.286 5
Hi High (pH 8-9.5) 2.98 7.94 -40.47 2 2 1 20 324.286 5
Hi High (pH 8-9.5) 2.98 7.11 -1.91 1 2 0 15 323.278 5

Activity (Go SEA)

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