UCSF

ZINC42443452

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 No

Download: MOL2 SDF SMILES Flexibase

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) 1.11 4.23 -45.29 3 2 1 31 215.386 3
Lo Low (pH 4.5-6) 1.11 5.38 -120.03 4 2 2 32 216.394 3

Activity (Go SEA)

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