UCSF

ZINC36876781

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 1.67 6.88 -51.25 4 3 1 56 258.389 4
Hi High (pH 8-9.5) 1.67 6.57 -7.67 3 3 0 55 257.381 4
Lo Low (pH 4.5-6) 1.67 7.22 -119.77 5 3 2 58 259.397 4

Activity (Go SEA)

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