UCSF

ZINC16737094

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 33 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) 2.24 7.79 -60.5 0 10 -1 134 455.443 10
Mid Mid (pH 6-8) 2.68 6.74 -35.01 1 10 0 131 456.451 9
Mid Mid (pH 6-8) 1.66 7.71 -33.06 0 10 0 128 456.451 10

Activity (Go SEA)

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