UCSF

ZINC55042203

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 26 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) 2.03 0.2 -17.55 4 9 0 126 362.386 7
Hi High (pH 8-9.5) 2.22 -2.46 -48.44 3 9 -1 132 361.378 7

Activity (Go SEA)

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