UCSF

ZINC00159647

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 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) 0.21 4.41 -41.21 3 6 1 83 219.272 1
Lo Low (pH 4.5-6) 0.21 1.23 -90.63 4 6 2 85 220.28 1
Lo Low (pH 4.5-6) 0.21 4.61 -100.05 4 6 2 85 220.28 1

Activity (Go SEA)

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