UCSF

ZINC32230711

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 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) 4.54 8.53 -46.6 3 3 1 46 314.449 6
Hi High (pH 8-9.5) 4.54 7.25 -6.64 2 3 0 41 313.441 6

Activity (Go SEA)

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