UCSF

ZINC44686594

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 1.33 3.3 -40.46 4 5 1 77 361.285 4
Hi High (pH 8-9.5) 1.33 0.9 -8.87 3 5 0 75 360.277 4

Activity (Go SEA)

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