UCSF

ZINC44243133

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) -0.31 -2.29 -54.42 4 5 1 87 281.155 4
Hi High (pH 8-9.5) -0.31 -2.68 -42.85 3 5 0 89 280.147 4

Activity (Go SEA)

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