UCSF

ZINC33121317

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 31 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) 2.26 3.98 -50.04 4 8 1 104 467.999 8
Hi High (pH 8-9.5) 2.26 4.05 -63.53 3 8 0 106 466.991 8
Hi High (pH 8-9.5) 2.26 2.64 -42.85 2 8 -1 102 465.983 8

Activity (Go SEA)

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