UCSF

ZINC25401224

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 32 No

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) 1.61 5.27 -15.36 2 8 0 99 476.624 9
Mid Mid (pH 6-8) 1.61 7.6 -56.73 3 8 1 100 477.632 9

Activity (Go SEA)

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