UCSF

ZINC53133440

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) -0.31 2.03 -50.83 3 5 1 79 233.295 5
Hi High (pH 8-9.5) -0.31 1.7 -8.69 2 5 0 78 232.287 5
Lo Low (pH 4.5-6) -0.31 2.5 -94.15 4 5 2 81 234.303 5

Activity (Go SEA)

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