UCSF

ZINC37038402

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) 0.34 2.42 -48.39 3 4 1 51 228.36 6
Mid Mid (pH 6-8) 0.34 4.62 -108.01 4 4 2 52 229.368 6

Activity (Go SEA)

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