UCSF

ZINC44085423

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 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) 2.91 7.73 -11.16 2 4 0 61 323.421 6
Lo Low (pH 4.5-6) 2.91 8.22 -36.01 3 4 1 62 324.429 6

Activity (Go SEA)

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