UCSF

ZINC11906407

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 19 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) 0.91 -2.94 -56.74 1 7 -1 113 286.285 7
Hi High (pH 8-9.5) 0.91 -2.36 -98.99 0 7 -2 115 285.277 7

Activity (Go SEA)

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