UCSF

ZINC35551051

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 32 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) 4.48 4.09 -94.3 0 8 -2 122 507.38 6
Mid Mid (pH 6-8) 4.48 4 -42.52 1 8 -1 120 508.388 6
Lo Low (pH 4.5-6) 4.48 3.85 -16.14 2 8 0 118 509.396 6

Activity (Go SEA)

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