UCSF

ZINC33446041

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 36 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) 4.59 10.11 -33.37 4 12 1 151 496.596 11
Hi High (pH 8-9.5) 4.59 8.13 -9.87 3 12 0 150 495.588 11

Activity (Go SEA)

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