UCSF

ZINC44625106

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 15 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) -1.53 4.13 -55.67 2 5 0 77 232.305 4
Mid Mid (pH 6-8) -1.53 2.97 -48.76 1 5 -1 72 231.297 4

Activity (Go SEA)

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