UCSF

ZINC19440928

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 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) 1.76 6.12 -31.1 4 4 1 68 247.366 4
Mid Mid (pH 6-8) 1.76 6.16 -8.01 3 4 0 66 246.358 4

Activity (Go SEA)

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