UCSF

ZINC41160242

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 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) 1.20 4.54 -48.1 3 4 1 57 251.35 7
Hi High (pH 8-9.5) 1.20 4.14 -8.71 2 4 0 56 250.342 7

Activity (Go SEA)

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