UCSF

ZINC16730893

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 36 No

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) 2.36 9.7 -52.95 0 9 -1 118 487.488 9
Mid Mid (pH 6-8) 2.80 7.76 -34.26 1 9 0 115 488.496 8
Mid Mid (pH 6-8) 1.77 8.74 -31.22 0 9 0 112 488.496 9
Lo Low (pH 4.5-6) 2.80 8.04 -58.54 2 9 1 117 489.504 8
Lo Low (pH 4.5-6) 1.77 9.02 -59.66 1 9 1 113 489.504 9

Activity (Go SEA)

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