UCSF

ZINC63808953

Substance Information

In ZINC since Heavy atoms Benign functionality
June 6th, 2011 22 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) 2.69 5.16 -41.27 2 5 -1 81 310.358 2
Mid Mid (pH 6-8) 2.24 6.47 -14.57 3 5 0 78 311.366 2

Activity (Go SEA)

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