UCSF

ZINC60947113

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2011 15 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) 2.43 7.41 -32.96 1 3 1 31 214.329 4
Mid Mid (pH 6-8) 2.43 5.09 -4.94 0 3 0 30 213.321 4

Activity (Go SEA)

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