UCSF

ZINC44893302

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 28 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) 2.47 5.95 -16.63 2 8 0 96 403.508 6
Hi High (pH 8-9.5) 2.66 4.3 -44.88 1 8 -1 103 402.5 6

Activity (Go SEA)

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