UCSF

ZINC06600555

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2006 32 No

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) 1.52 9.13 -58.75 1 10 -1 140 439.4 9
Hi High (pH 8-9.5) 1.98 7.6 -100.8 0 10 -2 143 438.392 9

Activity (Go SEA)

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