UCSF

ZINC65742732

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2011 25 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) -1.18 -0.64 -13.59 3 8 0 126 354.355 3
Hi High (pH 8-9.5) -1.18 0.06 -57.83 2 8 -1 129 353.347 3

Activity (Go SEA)

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