UCSF

ZINC23471718

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 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) 2.97 8.17 -8.19 0 4 0 54 316.408 4
Lo Low (pH 4.5-6) 2.97 10.16 -47.95 1 4 1 55 317.416 4

Activity (Go SEA)

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