UCSF

ZINC35604089

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 14 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) 2.13 3.42 -38.34 3 2 1 37 263.13 4
Hi High (pH 8-9.5) 2.13 1.95 -3.46 2 2 0 32 262.122 4

Activity (Go SEA)

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