UCSF

ZINC35280646

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 18 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) 2.61 9.16 -60.93 0 4 -1 60 254.35 6
Lo Low (pH 4.5-6) 2.61 7.17 -13.69 1 4 0 58 255.358 6

Activity (Go SEA)

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