UCSF

ZINC12504218

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 15 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) -2.12 2.6 -76.02 4 5 1 95 206.225 3
Hi High (pH 8-9.5) -2.12 2.27 -48.49 3 5 0 93 205.217 3

Activity (Go SEA)

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