UCSF

ZINC58568479

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 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) 2.75 9.19 -17.84 0 4 0 46 308.381 4
Lo Low (pH 4.5-6) 2.75 9.61 -41.8 1 4 1 48 309.389 4

Activity (Go SEA)

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