UCSF

ZINC32120043

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) 2.51 6.85 -52.9 3 2 1 31 273.375 7
Hi High (pH 8-9.5) 2.51 8.55 -43.04 3 2 1 30 273.375 7
Lo Low (pH 4.5-6) 2.51 9.04 -138.64 4 2 2 32 274.383 7

Activity (Go SEA)

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