UCSF

ZINC32153413

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) 1.62 7.88 -51.81 0 5 -1 64 291.371 7
Lo Low (pH 4.5-6) 1.62 6.76 -11.13 1 5 0 61 292.379 7

Activity (Go SEA)

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