UCSF

ZINC08934815

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2007 35 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) 3.86 10.82 -62.02 0 7 -1 88 472.517 9
Mid Mid (pH 6-8) 4.31 9.72 -30.39 1 7 0 85 473.525 8
Mid Mid (pH 6-8) 3.28 10.69 -25.23 0 7 0 82 473.525 9

Activity (Go SEA)

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