UCSF

ZINC36883934

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 0.31 5.31 -48.21 3 5 1 60 248.354 4
Mid Mid (pH 6-8) 0.31 7.01 -127.73 4 5 2 61 249.362 4
Mid Mid (pH 6-8) 0.31 6.65 -33.36 3 5 1 59 248.354 4

Activity (Go SEA)

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