UCSF

ZINC39816792

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 15 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) -4.42 -5.75 -78.99 6 8 0 146 219.197 6
Hi High (pH 8-9.5) -4.42 -6.16 -54.17 5 8 -1 145 218.189 6

Activity (Go SEA)

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