UCSF

ZINC32097507

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.12 4.43 -49.01 0 6 -1 98 354.411 4
Lo Low (pH 4.5-6) 4.12 4.35 -14.21 1 6 0 96 355.419 4

Activity (Go SEA)

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