UCSF

ZINC44085441

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) 4.61 10.7 -8.02 0 3 0 27 324.449 6
Lo Low (pH 4.5-6) 4.61 11.19 -29.49 1 3 1 28 325.457 6

Activity (Go SEA)

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