UCSF

ZINC44624337

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 14 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) -1.48 3.86 -48.83 2 5 0 77 218.278 4
Mid Mid (pH 6-8) -1.48 2.55 -39.84 1 5 -1 72 217.27 4

Activity (Go SEA)

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