UCSF

ZINC25150062

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 30 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) 1.70 9.47 -14.78 2 8 0 110 423.498 7
Mid Mid (pH 6-8) 2.16 7.68 -52.5 1 8 -1 113 422.49 7

Activity (Go SEA)

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