UCSF

ZINC34863856

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 29 No

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) 5.00 6.84 -13.69 2 6 0 82 493.199 3
Hi High (pH 8-9.5) 5.00 7.6 -19.2 1 6 0 85 492.191 3
Hi High (pH 8-9.5) 5.00 8.2 -42.24 1 6 -1 85 492.191 3

Activity (Go SEA)

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