UCSF

ZINC37790605

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 15 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) 0.01 3.58 -19.37 1 4 0 58 213.277 4
Hi High (pH 8-9.5) 0.76 2.45 -57.45 1 4 -1 64 212.269 3

Activity (Go SEA)

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