UCSF

ZINC37805717

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) -1.58 -2.49 -53.57 4 6 1 94 250.344 3
Hi High (pH 8-9.5) -1.58 -2.81 -15.86 3 6 0 93 249.336 3

Activity (Go SEA)

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