UCSF

ZINC29197511

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 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) 3.95 5.05 -17.78 2 5 0 68 323.295 5
Hi High (pH 8-9.5) 3.95 6.08 -60.1 1 5 -1 71 322.287 5

Activity (Go SEA)

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