UCSF

ZINC21637964

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 29 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) 2.28 9.27 -43.53 1 7 1 57 415.949 3
Mid Mid (pH 6-8) 2.28 6.81 -8.43 0 7 0 56 414.941 3

Activity (Go SEA)

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