UCSF

ZINC53249889

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 19 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) 2.84 4.54 -29.94 2 3 1 23 270.485 6
Hi High (pH 8-9.5) 2.84 3.84 -0.2 1 3 0 19 269.477 6
Mid Mid (pH 6-8) 2.84 7.08 -84.04 3 3 2 24 271.493 6
Lo Low (pH 4.5-6) 2.84 8.33 -196.82 4 3 3 25 272.501 6

Activity (Go SEA)

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