UCSF

ZINC22797216

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 34 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) 1.21 4.06 -49.98 3 10 1 103 469.518 7
Mid Mid (pH 6-8) 1.21 1.6 -12.49 2 10 0 102 468.51 7

Activity (Go SEA)

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