UCSF

ZINC33808053

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 21 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) 2.13 7.74 -41.34 2 4 1 51 292.399 6
Hi High (pH 8-9.5) 2.13 5.57 -5.72 1 4 0 50 291.391 6

Activity (Go SEA)

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