UCSF

ZINC13041638

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 30 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) 3.64 6.6 -16.69 2 7 0 94 426.494 7
Hi High (pH 8-9.5) 3.64 6.65 -55.26 1 7 -1 96 425.486 7

Activity (Go SEA)

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