UCSF

ZINC44679070

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 18 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) 1.21 5.54 -47.93 4 4 1 55 263.39 4
Lo Low (pH 4.5-6) 1.21 6.02 -107.72 5 4 2 57 264.398 4

Activity (Go SEA)

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