UCSF

ZINC02966836

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 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) 2.03 5.45 -62.06 1 9 -1 136 411.39 8
Mid Mid (pH 6-8) 2.48 -2.42 -35.08 2 9 0 132 412.398 7
Mid Mid (pH 6-8) 1.45 -2.16 -31.78 1 9 0 129 412.398 8

Activity (Go SEA)

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