UCSF

ZINC16729126

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) 2.01 3.98 -63.1 1 9 -1 112 499.515 9
Mid Mid (pH 6-8) 2.46 5.09 -66.09 3 9 1 110 501.531 8
Mid Mid (pH 6-8) 1.43 6.08 -68.81 2 9 1 107 501.531 9
Mid Mid (pH 6-8) 2.01 6.31 -75.99 2 9 0 113 500.523 9

Activity (Go SEA)

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