UCSF

ZINC52286981

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 2.53 4.94 -40.27 3 3 1 46 236.335 6
Hi High (pH 8-9.5) 2.53 3.52 -5.75 2 3 0 41 235.327 6

Activity (Go SEA)

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