UCSF

ZINC32125595

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 3.13 5.34 -49.95 4 4 1 66 279.404 8
Hi High (pH 8-9.5) 3.13 5.01 -11.57 3 4 0 64 278.396 8

Activity (Go SEA)

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