UCSF

ZINC08120065

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2006 21 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) 4.33 9.78 -45.62 2 3 1 34 368.682 5
Hi High (pH 8-9.5) 4.33 7.52 -8.2 1 3 0 32 367.674 5
Hi High (pH 8-9.5) 4.14 6.61 -40.54 0 3 -1 39 366.666 5

Activity (Go SEA)

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