UCSF

ZINC20524052

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 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) 2.56 9.44 -84.08 3 3 2 21 269.477 6
Hi High (pH 8-9.5) 2.56 7.45 -27.7 2 3 1 20 268.469 6
Mid Mid (pH 6-8) 2.56 7.49 -112.24 3 3 2 24 269.477 6
Mid Mid (pH 6-8) 2.56 7.43 -97.84 3 3 2 24 269.477 6
Lo Low (pH 4.5-6) 2.56 9.87 -199.56 4 3 3 25 270.485 6

Activity (Go SEA)

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