UCSF

ZINC31704291

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 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) 0.93 3.34 -47.39 4 3 1 57 219.308 2
Hi High (pH 8-9.5) 0.93 3.02 -11.97 3 3 0 55 218.3 2

Activity (Go SEA)

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