UCSF

ZINC16819066

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 29 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) 2.31 10 -12.86 0 6 0 64 395.434 3
Lo Low (pH 4.5-6) 2.31 10.11 -54.54 1 6 1 66 396.442 3

Activity (Go SEA)

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