UCSF

ZINC26566612

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 28 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) 2.15 8.35 -98.56 2 8 -2 138 398.5 15
Lo Low (pH 4.5-6) 2.15 6.18 -58.44 3 8 -1 136 399.508 15
Lo Low (pH 4.5-6) 2.15 6.29 -52.95 3 8 -1 136 399.508 15

Activity (Go SEA)

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