UCSF

ZINC37786541

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 2.84 7.23 -97.42 3 3 2 24 283.504 4
Hi High (pH 8-9.5) 2.84 4.92 -35.67 2 3 1 23 282.496 4
Lo Low (pH 4.5-6) 2.84 9.35 -176.13 4 3 3 25 284.512 4

Activity (Go SEA)

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