UCSF

ZINC31963959

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 1.00 1.7 -65.4 5 5 1 86 254.285 5
Hi High (pH 8-9.5) 1.00 1.31 -19.14 4 5 0 84 253.277 5

Activity (Go SEA)

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