UCSF

ZINC36680026

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 28 Yes

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) 4.75 5.55 -14.35 1 7 0 86 381.432 9
Hi High (pH 8-9.5) 4.82 3.43 -51.04 0 7 -1 93 380.424 9

Activity (Go SEA)

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