UCSF

ZINC42457019

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 Yes

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) 1.90 5.26 -24.07 3 4 1 48 211.333 4
Hi High (pH 8-9.5) 1.90 5.14 -5.09 2 4 0 47 210.325 4

Activity (Go SEA)

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