UCSF

ZINC32215321

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 1.56 5.47 -124.27 4 5 2 60 312.454 9
Mid Mid (pH 6-8) 1.56 4.26 -44.11 3 5 1 55 311.446 9

Activity (Go SEA)

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