UCSF

ZINC07786609

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2006 22 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) 3.72 8.99 -35.12 2 5 1 60 305.398 6
Hi High (pH 8-9.5) 3.72 6.74 -7.85 1 5 0 59 304.39 6

Activity (Go SEA)

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