UCSF

ZINC00187315

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 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) 2.47 7.37 -23.1 1 5 0 73 300.31 6
Mid Mid (pH 6-8) 2.47 8.37 -68.34 0 5 -1 76 299.302 6
Mid Mid (pH 6-8) 3.66 6.3 -58.32 1 5 -1 79 299.302 5

Activity (Go SEA)

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