UCSF

ZINC04948010

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 16 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) 4.10 4.68 -7.21 1 3 0 45 212.252 2
Hi High (pH 8-9.5) 4.10 5.45 -42 0 3 -1 48 211.244 2

Activity (Go SEA)

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