UCSF

ZINC44686323

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 1.20 3.12 -40.73 4 5 1 77 316.834 4
Hi High (pH 8-9.5) 1.20 0.73 -8.74 3 5 0 75 315.826 4
Hi High (pH 8-9.5) 1.20 2.94 -36.63 3 5 0 79 315.826 4

Activity (Go SEA)

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