UCSF

ZINC32112571

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 18 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) 2.69 4.72 -48.9 3 3 1 50 263.386 4
Hi High (pH 8-9.5) 2.69 4.34 -7.13 2 3 0 48 262.378 4

Activity (Go SEA)

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