UCSF

ZINC51554718

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -0.56 4.85 -40.81 2 8 1 83 369.486 7
Hi High (pH 8-9.5) -0.56 2.78 -11.27 1 8 0 82 368.478 7

Activity (Go SEA)

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