UCSF

ZINC42175806

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 1.74 2.57 -40.74 3 4 1 67 222.312 2
Hi High (pH 8-9.5) 1.74 2.3 -4.45 2 4 0 65 221.304 2

Activity (Go SEA)

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