UCSF

ZINC31891146

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 1.41 5.12 -28.4 4 4 1 65 190.226 2
Hi High (pH 8-9.5) 1.41 4.62 -8.77 3 4 0 64 189.218 2
Hi High (pH 8-9.5) 1.41 4.97 -11.13 3 4 0 64 189.218 2

Activity (Go SEA)

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