UCSF

ZINC31963590

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 0.31 1.64 -58.98 5 7 1 108 333.393 4
Hi High (pH 8-9.5) 0.49 0.48 -57.72 4 7 0 114 332.385 4

Activity (Go SEA)

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