UCSF

ZINC12619084

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) 3.67 8.35 -18.65 1 7 0 93 450.582 6
Hi High (pH 8-9.5) 3.67 8.41 -51.9 0 7 -1 95 449.574 6

Activity (Go SEA)

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