UCSF

ZINC25538604

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 23 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) 2.01 5.48 -118.33 4 5 2 60 324.465 10
Mid Mid (pH 6-8) 2.01 4.23 -35.88 3 5 1 55 323.457 10

Activity (Go SEA)

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