UCSF

ZINC37165051

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 18 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) 3.57 6.18 -51.5 3 2 1 31 318.254 7
Mid Mid (pH 6-8) 3.57 7.98 -129.71 4 2 2 32 319.262 7

Activity (Go SEA)

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