UCSF

ZINC35609546

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 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) -0.02 -3.29 -11.23 3 7 0 96 315.395 5
Lo Low (pH 4.5-6) -0.02 -0.98 -43.93 4 7 1 97 316.403 5

Activity (Go SEA)

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