UCSF

ZINC37022985

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) 1.66 4.51 -43.01 0 7 -1 106 285.301 5
Mid Mid (pH 6-8) 1.66 3.52 -13.2 1 7 0 103 286.309 5

Activity (Go SEA)

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