UCSF

ZINC32176003

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 17 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) 3.08 6.28 -39.82 2 2 1 20 298.248 4
Lo Low (pH 4.5-6) 3.08 7.1 -34.28 2 2 1 16 298.248 4
Lo Low (pH 4.5-6) 3.08 8.51 -115.74 3 2 2 21 299.256 4

Activity (Go SEA)

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