UCSF

ZINC12632017

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 25 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) 3.42 8.89 -14.54 1 4 0 51 332.403 7
Lo Low (pH 4.5-6) 3.42 9.17 -40.29 2 4 1 52 333.411 7

Activity (Go SEA)

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