UCSF

ZINC36876248

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) 1.73 4.86 -48.96 4 3 1 56 254.716 4
Mid Mid (pH 6-8) 1.73 5.32 -107.31 5 3 2 58 255.724 4

Activity (Go SEA)

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