UCSF

ZINC35390813

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 20 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) -2.20 -0.82 -48.32 3 9 -1 152 304.304 5
Mid Mid (pH 6-8) -1.75 -2.74 -101.9 2 9 -2 155 303.296 5

Activity (Go SEA)

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