UCSF

ZINC42172262

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 11 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) 1.22 3.92 -102.55 4 2 2 33 158.289 4
Hi High (pH 8-9.5) 1.22 2.55 -34.66 3 2 1 29 157.281 4

Activity (Go SEA)

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