UCSF

ZINC34973867

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 2.59 5.77 -6.18 1 2 0 36 251.127 3
Lo Low (pH 4.5-6) 2.59 6.82 -41.98 2 2 1 40 252.135 3

Activity (Go SEA)

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