UCSF

ZINC37030154

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 1.18 4.48 -42.34 3 4 1 55 281.401 5
Mid Mid (pH 6-8) 1.18 3.12 -7.47 2 4 0 50 280.393 5

Activity (Go SEA)

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