UCSF

ZINC31893529

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 15 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) 1.96 6.85 -15.89 0 3 0 35 202.257 2
Lo Low (pH 4.5-6) 1.96 7.26 -33.96 1 3 1 36 203.265 2

Activity (Go SEA)

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