UCSF

ZINC34874375

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 16 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) 0.86 5.32 -33.53 2 3 1 29 219.308 2
Hi High (pH 8-9.5) 0.86 3.45 -3.07 1 3 0 24 218.3 2

Activity (Go SEA)

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