UCSF

ZINC33942285

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2009 24 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) 3.30 5.9 -10.12 2 5 0 79 369.248 2
Hi High (pH 8-9.5) 3.30 6.36 -46.91 1 5 -1 82 368.24 2
Hi High (pH 8-9.5) 3.30 7.02 -56.78 1 5 -1 82 368.24 2

Activity (Go SEA)

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