UCSF

ZINC37008757

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -1.12 -2.98 -42.21 4 6 1 78 258.342 4
Mid Mid (pH 6-8) -1.12 -0.59 -98.21 5 6 2 80 259.35 4

Activity (Go SEA)

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