UCSF

ZINC24426664

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2009 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) 3.49 7.88 -58.08 0 6 -1 79 418.296 4
Mid Mid (pH 6-8) 3.49 7.81 -22.34 1 6 0 77 419.304 4

Activity (Go SEA)

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