UCSF

ZINC08828952

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 26 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) 5.03 10.09 -16.16 1 4 0 54 367.518 3
Mid Mid (pH 6-8) 5.03 9.97 -50.56 0 4 -1 56 366.51 3

Activity (Go SEA)

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