UCSF

ZINC44694097

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 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) 1.66 5.68 -41.32 2 3 1 35 236.335 7
Hi High (pH 8-9.5) 1.66 4.49 -4.62 1 3 0 30 235.327 7

Activity (Go SEA)

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