UCSF

ZINC34984601

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 35 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) 2.96 4.89 -47.13 5 9 1 125 488.605 8
Hi High (pH 8-9.5) 2.96 2.63 -12.52 4 9 0 123 487.597 8
Lo Low (pH 4.5-6) 2.96 4.23 -83.18 6 9 2 129 489.613 8

Activity (Go SEA)

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