UCSF

ZINC34310750

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 10 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) -1.23 -1.08 -95.68 5 3 2 47 145.25 2
Hi High (pH 8-9.5) -1.23 -2.44 -39.46 4 3 1 43 144.242 2

Activity (Go SEA)

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