UCSF

ZINC33726299

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 34 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) 3.64 13.09 -52.52 2 7 1 80 464.586 10
Hi High (pH 8-9.5) 3.64 10.55 -19.15 1 7 0 79 463.578 10

Activity (Go SEA)

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