UCSF

ZINC32210156

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 1.77 6.13 -51.73 3 4 1 57 309.405 6
Hi High (pH 8-9.5) 1.77 4.63 -12.24 2 4 0 53 308.397 6

Activity (Go SEA)

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