UCSF

ZINC34991798

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 2.10 4.62 -9.98 2 4 0 65 282.343 7
Lo Low (pH 4.5-6) 2.10 6.06 -44.69 3 4 1 70 283.351 7

Activity (Go SEA)

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