UCSF

ZINC41801701

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 13 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) -1.18 1.75 -33.32 3 4 0 77 189.255 7
Hi High (pH 8-9.5) -1.18 0.61 -45.47 2 4 -1 72 188.247 7

Activity (Go SEA)

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