UCSF

ZINC16731141

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 34 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) 3.87 12.4 -66.49 1 7 0 91 468.525 10
Hi High (pH 8-9.5) 3.87 10.08 -54.75 0 7 -1 90 467.517 10
Mid Mid (pH 6-8) 4.32 11.29 -58.86 2 7 1 88 469.533 9
Mid Mid (pH 6-8) 3.29 12.29 -59.41 1 7 1 85 469.533 10

Activity (Go SEA)

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