UCSF

ZINC11615530

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 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) 2.19 -4.11 -13.09 1 5 0 68 284.362 4
Hi High (pH 8-9.5) 2.19 -3.55 -47.59 0 5 -1 70 283.354 4

Activity (Go SEA)

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