UCSF

ZINC16734364

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 34 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) 4.14 11.49 -56.16 0 7 -1 92 458.49 10
Mid Mid (pH 6-8) 4.59 9.29 -26.81 1 7 0 89 459.498 9
Mid Mid (pH 6-8) 3.56 10.28 -21.61 0 7 0 86 459.498 10

Activity (Go SEA)

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