UCSF

ZINC32120229

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 1.13 7.73 -51.47 0 5 -1 74 272.28 6
Lo Low (pH 4.5-6) 1.13 6.61 -11.74 1 5 0 71 273.288 6

Activity (Go SEA)

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