UCSF

ZINC41066432

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 21 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) 2.70 5.43 -43.99 1 5 1 55 395.73 4
Mid Mid (pH 6-8) 2.70 3.21 -6.43 0 5 0 54 394.722 4

Activity (Go SEA)

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