UCSF

ZINC37910467

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2009 15 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) 1.74 3.37 -43.96 3 2 1 31 225.381 3
Hi High (pH 8-9.5) 1.74 2.95 -1.82 2 2 0 29 224.373 3
Lo Low (pH 4.5-6) 1.74 5.44 -118.6 4 2 2 32 226.389 3

Activity (Go SEA)

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