UCSF

ZINC31978944

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 0.06 1.09 -45.85 2 5 -1 89 226.252 4
Lo Low (pH 4.5-6) 0.06 -0.04 -12.08 3 5 0 87 227.26 4

Activity (Go SEA)

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