UCSF

ZINC32024040

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) -2.58 -0.74 -60.82 3 6 0 94 204.226 7
Hi High (pH 8-9.5) -2.58 -3.22 -45.64 2 6 -1 93 203.218 7

Activity (Go SEA)

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