UCSF

ZINC42463358

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 0.65 3.67 -27.59 3 4 1 53 222.312 4
Hi High (pH 8-9.5) 0.65 3.33 -5.63 2 4 0 51 221.304 4

Activity (Go SEA)

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