UCSF

ZINC05553215

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 23 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) 3.58 9.34 -8.81 1 3 0 42 302.377 4
Lo Low (pH 4.5-6) 3.58 9.62 -35.28 2 3 1 43 303.385 4

Activity (Go SEA)

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