UCSF

ZINC20128567

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 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) 2.35 10.43 -84.14 3 3 2 21 291.483 6
Hi High (pH 8-9.5) 2.35 6.22 -38.02 2 3 1 23 290.475 6
Hi High (pH 8-9.5) 2.35 7.47 -32.17 2 3 1 20 290.475 6
Lo Low (pH 4.5-6) 2.35 10.54 -192.04 4 3 3 25 292.491 6

Activity (Go SEA)

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