UCSF

ZINC37822807

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) 0.02 1.96 -45.5 3 4 1 51 224.328 4
Hi High (pH 8-9.5) 0.02 1.62 -8.8 2 4 0 50 223.32 4
Lo Low (pH 4.5-6) 0.02 4.22 -102.9 4 4 2 52 225.336 4

Activity (Go SEA)

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