UCSF

ZINC22113464

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 17 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) 2.01 5.88 -31.92 2 4 1 50 254.379 3
Hi High (pH 8-9.5) 2.47 1.82 -46.72 0 4 -1 52 252.363 3
Lo Low (pH 4.5-6) 2.01 6.34 -88.84 3 4 2 51 255.387 3

Activity (Go SEA)

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