UCSF

ZINC42351471

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 14 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) 0.15 3.27 -41.69 2 5 1 60 203.262 7
Hi High (pH 8-9.5) 0.15 1.22 -11.33 1 5 0 59 202.254 7

Activity (Go SEA)

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