UCSF

ZINC70189248

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 19 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) 1.34 5.53 -81.54 2 5 0 73 263.341 4
Mid Mid (pH 6-8) 1.34 4.52 -48.59 3 5 1 70 264.349 4
Mid Mid (pH 6-8) 1.34 3.54 -69.16 3 5 1 74 264.349 4

Activity (Go SEA)

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