UCSF

ZINC37803965

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.58 0.62 -45.65 6 6 1 107 287.343 3
Hi High (pH 8-9.5) 0.58 0.26 -15.66 5 6 0 105 286.335 3

Activity (Go SEA)

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