UCSF

ZINC16701276

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 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) 4.15 10.26 -58.46 0 8 -1 97 496.58 13
Mid Mid (pH 6-8) 4.60 8.57 -30.5 1 8 0 95 497.588 12
Mid Mid (pH 6-8) 3.57 9.56 -26.33 0 8 0 91 497.588 13

Activity (Go SEA)

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