UCSF

ZINC11786729

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 24 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) 4.17 1.12 -47.56 2 3 1 39 325.407 5
Lo Low (pH 4.5-6) 4.17 1.21 -99.16 3 3 2 40 326.415 5

Activity (Go SEA)

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