UCSF

ZINC44510010

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 16 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) 1.36 2.13 -40.24 0 5 -1 81 239.276 5
Lo Low (pH 4.5-6) 1.36 2.09 -14.06 1 5 0 79 240.284 5

Activity (Go SEA)

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