UCSF

ZINC32699487

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 21 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) 4.01 8.32 -20.16 1 4 0 55 341.889 5
Hi High (pH 8-9.5) 4.19 7.24 -43.27 0 4 -1 61 340.881 5

Activity (Go SEA)

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