UCSF

ZINC32024034

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) -2.52 -1 -53.96 3 6 0 94 204.226 6
Hi High (pH 8-9.5) -2.52 -3.41 -47.61 2 6 -1 93 203.218 6

Activity (Go SEA)

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