UCSF

ZINC19407939

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 21 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) 2.51 7.28 -95.97 4 3 2 35 283.419 4
Hi High (pH 8-9.5) 2.51 5.72 -4 2 3 0 32 281.403 4
Mid Mid (pH 6-8) 2.51 4.96 -46.8 3 3 1 34 282.411 4

Activity (Go SEA)

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