UCSF

ZINC35507197

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 30 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) 2.35 6.16 -16.01 1 8 0 86 408.458 6
Lo Low (pH 4.5-6) 2.35 6.58 -27.3 2 8 1 87 409.466 6
Lo Low (pH 4.5-6) 2.35 6.62 -27.17 2 8 1 87 409.466 6

Activity (Go SEA)

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