UCSF

ZINC37795916

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 0.66 5.47 -52.26 1 7 -1 100 271.256 4
Lo Low (pH 4.5-6) 0.66 3.47 -14.77 2 7 0 97 272.264 4

Activity (Go SEA)

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