UCSF

ZINC53133244

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 No

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) -0.95 2.49 -55.19 3 5 1 79 265.362 6
Hi High (pH 8-9.5) -0.95 2.16 -10.31 2 5 0 78 264.354 6
Lo Low (pH 4.5-6) -0.95 2.96 -99.11 4 5 2 81 266.37 6

Activity (Go SEA)

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