UCSF

ZINC44472022

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2010 14 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) 1.54 3.53 -34.3 2 3 1 29 201.334 5
Lo Low (pH 4.5-6) 1.54 5.43 -113.49 3 3 2 30 202.342 5

Activity (Go SEA)

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