UCSF

ZINC32012393

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) 0.33 3.64 -47.62 3 4 1 61 211.285 5
Hi High (pH 8-9.5) 0.33 3.24 -9.16 2 4 0 59 210.277 5

Activity (Go SEA)

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