UCSF

ZINC37095368

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.92 7.97 -44.82 1 4 0 58 208.261 5
Mid Mid (pH 6-8) 1.92 7.52 -47.24 0 4 -1 56 207.253 5

Activity (Go SEA)

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