UCSF

ZINC32105880

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 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) 3.00 5.89 -39.9 2 3 1 29 251.394 9
Mid Mid (pH 6-8) 3.00 7.03 -35.77 2 3 1 26 251.394 9

Activity (Go SEA)

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