UCSF

ZINC32196712

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 19 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) 0.90 1.58 -48.15 2 5 1 57 304.461 6
Lo Low (pH 4.5-6) 0.90 3.96 -128.81 3 5 2 58 305.469 6

Activity (Go SEA)

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