UCSF

ZINC27408415

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 23 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) 1.25 5.89 -15.11 1 6 0 73 309.373 3
Lo Low (pH 4.5-6) 1.25 6.33 -52.05 2 6 1 74 310.381 3

Activity (Go SEA)

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