UCSF

ZINC37786410

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.50 4.17 -37.28 2 3 1 23 280.48 3
Mid Mid (pH 6-8) 2.50 6.52 -102.05 3 3 2 24 281.488 3
Lo Low (pH 4.5-6) 2.50 8.64 -183.7 4 3 3 25 282.496 3
Lo Low (pH 4.5-6) 2.50 7.65 -73.82 3 3 2 21 281.488 3

Activity (Go SEA)

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