UCSF

ZINC08926689

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 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) 2.67 7.67 -41.25 0 8 -1 97 460.89 9
Mid Mid (pH 6-8) 2.09 7.02 -23.3 0 8 0 91 461.898 9
Mid Mid (pH 6-8) 3.12 6.04 -27.82 1 8 0 95 461.898 8

Activity (Go SEA)

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