UCSF

ZINC36996310

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 3.50 8.12 -29.96 2 2 1 16 265.446 4
Lo Low (pH 4.5-6) 3.50 6.88 -33.33 2 2 1 20 265.446 4
Lo Low (pH 4.5-6) 3.50 9.14 -106.48 3 2 2 21 266.454 4

Activity (Go SEA)

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