UCSF

ZINC21521487

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 34 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) 2.40 9.15 -42.85 2 7 1 76 459.57 5
Mid Mid (pH 6-8) 2.40 8.88 -15.48 1 7 0 75 458.562 5

Activity (Go SEA)

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