UCSF

ZINC08903836

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 30 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) 2.46 6.56 -57.74 0 7 -1 86 429.88 7
Mid Mid (pH 6-8) 2.91 9.24 -49.49 2 7 1 84 431.896 6
Mid Mid (pH 6-8) 2.46 8.89 -75.49 1 7 0 87 430.888 7

Activity (Go SEA)

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