UCSF

ZINC32181739

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) 4.06 10.44 -35.34 2 3 1 26 299.438 7
Hi High (pH 8-9.5) 4.06 7.84 -4.95 1 3 0 24 298.43 7

Activity (Go SEA)

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