UCSF

ZINC37800592

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) -1.79 0.37 -49.98 3 6 1 71 257.358 4
Hi High (pH 8-9.5) -1.79 0.02 -14.6 2 6 0 70 256.35 4

Activity (Go SEA)

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