UCSF

ZINC33154838

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 29 No

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) 0.80 5.29 -35.48 4 12 1 154 397.423 6
Hi High (pH 8-9.5) 0.80 3.01 -12.97 3 12 0 153 396.415 6

Activity (Go SEA)

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