UCSF

ZINC42462000

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 2.59 5.4 -89.08 4 3 2 35 257.466 6
Hi High (pH 8-9.5) 2.59 3.24 -42.19 3 3 1 34 256.458 6

Activity (Go SEA)

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