UCSF

ZINC35498463

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 30 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) 1.93 7.92 -49.53 2 6 1 51 412.554 12
Hi High (pH 8-9.5) 1.93 5.54 -10.68 1 6 0 50 411.546 12
Lo Low (pH 4.5-6) 1.93 7.78 -45.42 2 6 1 51 412.554 12

Activity (Go SEA)

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