UCSF

ZINC31918248

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 3.36 10.17 -40.17 3 4 1 48 307.421 3
Hi High (pH 8-9.5) 3.36 8.83 -11.56 2 4 0 47 306.413 3
Lo Low (pH 4.5-6) 3.36 10.59 -86.07 4 4 2 49 308.429 3

Activity (Go SEA)

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