UCSF

ZINC21704579

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 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) 2.86 8.12 -42.87 1 9 0 104 481.578 7
Hi High (pH 8-9.5) 2.86 5.92 -49.32 0 9 -1 103 480.57 7
Mid Mid (pH 6-8) 3.04 6.84 -22.72 1 9 0 97 481.578 7
Lo Low (pH 4.5-6) 3.04 9.2 -61.58 2 9 1 98 482.586 7

Activity (Go SEA)

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