UCSF

ZINC32189032

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.41 5.77 -2.47 1 1 0 12 175.275 1
Lo Low (pH 4.5-6) 3.41 6.26 -31.64 2 1 1 17 176.283 1

Activity (Go SEA)

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