UCSF

ZINC59877028

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 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) 3.47 7.18 -39.6 2 2 1 26 250.406 2
Hi High (pH 8-9.5) 3.47 5.9 -1.22 1 2 0 21 249.398 2

Activity (Go SEA)

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