UCSF

ZINC43902810

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 12 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) 1.46 5.84 -98.83 3 2 2 21 172.316 4
Hi High (pH 8-9.5) 1.46 4.72 -27.8 2 2 1 16 171.308 4
Mid Mid (pH 6-8) 1.46 3.59 -35.2 2 2 1 20 171.308 4

Activity (Go SEA)

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