UCSF

ZINC70514537

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 1.58 6.39 -76.85 4 4 2 45 297.487 8
Hi High (pH 8-9.5) 1.58 6.03 -31.44 3 4 1 40 296.479 8
Lo Low (pH 4.5-6) 1.58 7.96 -184.61 5 4 3 46 298.495 8

Activity (Go SEA)

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