UCSF

ZINC44624829

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) -0.13 6.23 -43.45 2 5 0 77 230.308 8
Hi High (pH 8-9.5) -0.13 5.05 -43.25 1 5 -1 72 229.3 8

Activity (Go SEA)

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