UCSF

ZINC05781628

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 22 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) -0.09 0.58 -14.5 2 8 0 111 316.285 6
Hi High (pH 8-9.5) 0.36 -1.32 -60.68 1 8 -1 114 315.277 6

Activity (Go SEA)

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