UCSF

ZINC60240808

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 19 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) 3.53 8.17 -37.3 3 4 0 71 262.353 4
Hi High (pH 8-9.5) 3.53 8.32 -53.61 2 4 -1 69 261.345 4

Activity (Go SEA)

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