UCSF

ZINC53133817

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 15 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) 1.08 4.73 -56.66 0 4 -1 66 219.245 3
Lo Low (pH 4.5-6) 1.08 5.19 -72.14 1 4 0 67 220.253 3

Activity (Go SEA)

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