UCSF

ZINC24690773

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2009 10 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) -0.14 3.21 -47.71 1 4 -1 69 139.134 3
Mid Mid (pH 6-8) -0.14 3.69 -60.55 2 4 0 70 140.142 3

Activity (Go SEA)

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