UCSF

ZINC29389592

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 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) 4.89 5.77 -41.48 2 7 0 93 423.494 6
Hi High (pH 8-9.5) 4.89 5.39 -46.16 1 7 -1 92 422.486 6
Hi High (pH 8-9.5) 4.89 5.39 -17.68 2 7 0 90 423.494 6

Activity (Go SEA)

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