UCSF

ZINC32107391

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 25 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) -1.55 -4.89 -30.93 4 11 0 146 353.335 3
Hi High (pH 8-9.5) -1.09 -6.01 -60.91 3 11 -1 149 352.327 3

Activity (Go SEA)

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