UCSF

ZINC08996806

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 5.48 11.57 -57.06 0 6 -1 83 475.571 6
Mid Mid (pH 6-8) 4.89 11.73 -11.64 0 6 0 77 476.579 6
Mid Mid (pH 6-8) 5.48 11.26 -14.64 1 6 0 80 476.579 6

Activity (Go SEA)

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