UCSF

ZINC32203604

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 31 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) 3.87 11.91 -44.89 2 6 1 61 419.549 7
Hi High (pH 8-9.5) 3.87 9.64 -12.88 1 6 0 59 418.541 7

Activity (Go SEA)

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