UCSF

ZINC26516607

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 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) 2.10 4.59 -6.97 1 2 0 36 196.2 3
Lo Low (pH 4.5-6) 2.10 5.83 -51.73 2 2 1 40 197.208 3

Activity (Go SEA)

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