UCSF

ZINC31995158

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 2.47 8.99 -114.63 3 3 2 30 290.451 4
Hi High (pH 8-9.5) 2.47 7.83 -31.46 2 3 1 26 289.443 4
Hi High (pH 8-9.5) 2.47 7.09 -40.56 2 3 1 29 289.443 4

Activity (Go SEA)

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