UCSF

ZINC39420703

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 29 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) 2.86 11.98 -54.91 2 6 1 64 392.527 5
Mid Mid (pH 6-8) 2.86 10.36 -11.53 1 6 0 63 391.519 5

Activity (Go SEA)

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