UCSF

ZINC26404094

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 31 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) 1.59 2.48 -99.48 8 9 2 140 430.505 10
Hi High (pH 8-9.5) 1.59 -0.05 -53.11 7 9 1 139 429.497 10

Activity (Go SEA)

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