UCSF

ZINC24757448

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 36 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) 3.85 10.5 -59.44 2 8 1 77 486.596 9
Mid Mid (pH 6-8) 3.85 8.19 -16.06 1 8 0 76 485.588 9

Activity (Go SEA)

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