UCSF

ZINC34566578

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 9 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) -1.41 -1.48 -54.11 4 3 1 57 127.167 0
Hi High (pH 8-9.5) -1.41 -1.77 -9.02 3 3 0 55 126.159 0

Activity (Go SEA)

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