UCSF

ZINC34957241

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 18 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) 3.29 8.42 -50.05 2 1 1 17 252.259 4
Hi High (pH 8-9.5) 3.29 7.05 -6.66 1 1 0 12 251.251 4

Activity (Go SEA)

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