UCSF

ZINC43248942

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 1.71 3.16 -37.95 3 4 1 49 301.476 9
Hi High (pH 8-9.5) 1.71 3.32 -2.85 2 4 0 48 300.468 9
Lo Low (pH 4.5-6) 1.71 4.59 -104.88 4 4 2 51 302.484 9

Activity (Go SEA)

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