UCSF

ZINC43431373

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 1.79 7.54 -28.9 2 3 0 57 306.225 5
Hi High (pH 8-9.5) 1.79 6.32 -42.23 1 3 -1 52 305.217 5

Activity (Go SEA)

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