UCSF

ZINC32066747

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) -0.31 4.34 -52.7 1 6 -1 82 299.391 7
Mid Mid (pH 6-8) -0.31 6.6 -65.28 2 6 0 83 300.399 7

Activity (Go SEA)

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