UCSF

ZINC19666206

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 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) 3.04 4.85 -7.86 1 3 0 45 218.3 5
Lo Low (pH 4.5-6) 3.04 6.25 -51.72 2 3 1 50 219.308 5

Activity (Go SEA)

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