UCSF

ZINC37799605

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 1.11 4.46 -41.56 2 5 1 49 296.435 5
Hi High (pH 8-9.5) 1.11 3.27 -8.22 1 5 0 45 295.427 5
Mid Mid (pH 6-8) 1.11 6.67 -97.72 3 5 2 51 297.443 5

Activity (Go SEA)

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