UCSF

ZINC40429942

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 32 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) 5.41 11.98 -72.09 2 5 1 49 435.567 5
Mid Mid (pH 6-8) 5.41 13.02 -120 3 5 2 51 436.575 5

Activity (Go SEA)

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