UCSF

ZINC38001991

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 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) 5.49 8.73 -2.93 1 1 0 12 324.287 5
Mid Mid (pH 6-8) 5.49 9.93 -42.22 2 1 1 17 325.295 5

Activity (Go SEA)

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