UCSF

ZINC20522938

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 16 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) 3.94 5.36 -39.11 3 2 1 37 263.188 4
Mid Mid (pH 6-8) 3.94 6.11 -26.99 2 2 0 40 262.18 4

Activity (Go SEA)

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