UCSF

ZINC28461516

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 24 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) 4.40 11.33 -102.46 0 5 -2 97 340.46 14
Lo Low (pH 4.5-6) 4.40 10.21 -56.33 1 5 -1 94 341.468 14

Activity (Go SEA)

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