UCSF

ZINC58295050

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 31 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) 2.41 8.48 -16.42 1 10 0 110 425.493 7
Mid Mid (pH 6-8) 2.41 10.73 -56.13 2 10 1 112 426.501 7

Activity (Go SEA)

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