UCSF

ZINC44625583

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) -0.08 4.78 -45.16 2 4 1 47 167.236 3
Hi High (pH 8-9.5) -0.08 3.42 -10.78 1 4 0 43 166.228 3

Activity (Go SEA)

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