UCSF

ZINC26577091

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 12 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) -2.74 0.49 -68.93 3 5 0 88 172.184 2
Hi High (pH 8-9.5) -2.74 0.17 -57.49 2 5 -1 86 171.176 2

Activity (Go SEA)

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