UCSF

ZINC42947432

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 21 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) 3.05 8.19 -51.93 3 3 1 45 300.813 3
Hi High (pH 8-9.5) 3.05 8.26 -9.77 2 3 0 44 299.805 3
Mid Mid (pH 6-8) 3.05 8.61 -105.06 4 3 2 47 301.821 3

Activity (Go SEA)

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