UCSF

ZINC08741057

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 32 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) 5.23 11.85 -59.47 0 6 -1 86 443.504 5
Mid Mid (pH 6-8) 5.68 11.96 -21.23 1 6 0 84 444.512 4
Mid Mid (pH 6-8) 4.64 13.24 -11.74 0 6 0 80 444.512 5

Activity (Go SEA)

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