UCSF

ZINC12648349

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 4.89 10.08 -13.15 1 5 0 66 438.574 5
Hi High (pH 8-9.5) 4.89 10.15 -40.97 0 5 -1 69 437.566 5

Activity (Go SEA)

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