UCSF

ZINC20524020

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 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) 2.34 8.39 -76.15 3 3 2 21 281.488 5
Hi High (pH 8-9.5) 2.34 4.97 -39.66 2 3 1 23 280.48 5
Mid Mid (pH 6-8) 2.34 7.43 -110.84 3 3 2 24 281.488 5
Lo Low (pH 4.5-6) 2.34 9.82 -188.12 4 3 3 25 282.496 5

Activity (Go SEA)

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