UCSF

ZINC32226904

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 20 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) 3.96 6.08 -49.58 3 3 1 46 313.204 6
Hi High (pH 8-9.5) 3.96 6.87 -72.97 2 3 0 49 312.196 6
Hi High (pH 8-9.5) 3.96 4.67 -9.22 2 3 0 41 312.196 6

Activity (Go SEA)

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