UCSF

ZINC37822761

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 13 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) -1.48 -0.09 -49.17 3 4 1 51 182.247 2
Hi High (pH 8-9.5) -1.48 -0.49 -9.76 2 4 0 50 181.239 2
Lo Low (pH 4.5-6) -1.48 2.16 -103.45 4 4 2 52 183.255 2

Activity (Go SEA)

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