UCSF

ZINC32200652

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) 1.00 6.75 -54.65 0 6 -1 79 304.322 7
Lo Low (pH 4.5-6) 1.00 5.63 -14.7 1 6 0 76 305.33 7

Activity (Go SEA)

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