UCSF

ZINC50598934

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2010 20 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) 1.66 9.04 -36.18 3 2 1 30 267.396 4
Hi High (pH 8-9.5) 1.66 6.91 -2.78 2 2 0 29 266.388 4
Hi High (pH 8-9.5) 1.66 7.32 -41.99 3 2 1 31 267.396 4
Lo Low (pH 4.5-6) 1.66 9.45 -136.32 4 2 2 32 268.404 4

Activity (Go SEA)

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