UCSF

ZINC42477660

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 21 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) 0.63 -0.59 -62.16 6 6 1 117 312.415 6
Hi High (pH 8-9.5) 0.63 -0.93 -15.06 5 6 0 115 311.407 6

Activity (Go SEA)

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