UCSF

ZINC06315589

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 21 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) 2.03 -9.39 -15.27 3 6 0 106 346.817 4
Hi High (pH 8-9.5) 2.03 -8.81 -44.29 2 6 -1 108 345.809 4

Activity (Go SEA)

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