UCSF

ZINC36143019

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.82 5.15 -19.21 2 3 0 57 251.285 0
Hi High (pH 8-9.5) 2.82 6.86 -11.39 2 3 0 62 251.285 0
Hi High (pH 8-9.5) 2.82 5.91 -37.83 1 3 -1 60 250.277 0

Activity (Go SEA)

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