UCSF

ZINC45650823

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 2.71 6.28 -76.55 4 3 2 33 269.477 3
Hi High (pH 8-9.5) 2.71 6.35 -109.9 4 3 2 33 269.477 3
Hi High (pH 8-9.5) 2.71 3.92 -37.25 3 3 1 32 268.469 3
Hi High (pH 8-9.5) 2.71 3.86 -31.85 3 3 1 32 268.469 3
Lo Low (pH 4.5-6) 2.71 4.88 -101.57 4 3 2 36 269.477 3

Activity (Go SEA)

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