UCSF

ZINC08934728

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2007 33 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) 5.69 13.03 -53.75 0 5 -1 73 457.506 5
Mid Mid (pH 6-8) 6.13 12.02 -26.41 1 5 0 71 458.514 4
Mid Mid (pH 6-8) 5.10 13.01 -14.95 0 5 0 67 458.514 5

Activity (Go SEA)

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