UCSF

ZINC21175840

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 25 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) 0.45 3.93 -17.05 0 7 0 60 344.415 4
Mid Mid (pH 6-8) 0.45 4.33 -34.64 1 7 1 61 345.423 4

Activity (Go SEA)

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