UCSF

ZINC16756962

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 35 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) 1.06 2.99 -21.78 3 11 0 130 478.509 6
Mid Mid (pH 6-8) 1.06 3.39 -35.09 4 11 1 131 479.517 6
Lo Low (pH 4.5-6) 1.06 5.72 -101.28 5 11 2 132 480.525 6

Activity (Go SEA)

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