UCSF

ZINC13624069

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 27 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) 1.30 6.77 -37.74 3 7 1 83 438.346 6
Hi High (pH 8-9.5) 1.49 5.23 -41.58 2 7 0 89 437.338 6

Activity (Go SEA)

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