UCSF

ZINC31995212

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 2.02 10.45 -175.75 4 3 3 25 302.486 5
Hi High (pH 8-9.5) 2.02 7.92 -87.06 3 3 2 24 301.478 5
Hi High (pH 8-9.5) 2.02 9.02 -101.42 3 3 2 21 301.478 5

Activity (Go SEA)

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