UCSF

ZINC34549527

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 20 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) 0.15 5.09 -14.42 1 8 0 91 282.3 7
Hi High (pH 8-9.5) -0.34 3.76 -40.54 0 8 -1 94 281.292 7

Activity (Go SEA)

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