UCSF

ZINC42453911

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 19 No

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) 1.25 1.33 -10.16 4 6 0 99 265.313 5
Hi High (pH 8-9.5) 1.25 2.11 -51.09 3 6 -1 102 264.305 5

Activity (Go SEA)

Rings

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