UCSF

ZINC15080868

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 31 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) 3.41 7.29 -68.57 3 6 0 97 483.779 9
Hi High (pH 8-9.5) 3.41 5.8 -54.46 2 6 -1 93 482.771 9
Mid Mid (pH 6-8) 3.86 6.31 -59.1 4 6 1 94 484.787 8
Mid Mid (pH 6-8) 2.83 7.3 -55.1 3 6 1 91 484.787 9

Activity (Go SEA)

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