UCSF

ZINC37301982

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 0.85 0.88 -8.33 1 5 0 54 269.732 4
Mid Mid (pH 6-8) 0.85 3.15 -42.35 2 5 1 56 270.74 4

Activity (Go SEA)

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