UCSF

ZINC12508649

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 26 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) 1.34 3.2 -19.9 1 7 0 101 394.474 5
Hi High (pH 8-9.5) 1.34 3.27 -45.49 0 7 -1 103 393.466 5

Activity (Go SEA)

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