UCSF

ZINC37038051

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 15 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) -0.57 3.52 -113.31 4 5 2 62 217.313 4
Hi High (pH 8-9.5) -0.57 3.14 -39.5 3 5 1 60 216.305 4
Mid Mid (pH 6-8) -0.57 1.71 -49.09 3 5 1 60 216.305 4

Activity (Go SEA)

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