UCSF

ZINC36617155

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 29 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) 4.33 8.93 -59.23 1 7 -1 104 458.288 6
Ref Reference (pH 7) 4.33 9.3 -61.21 1 7 -1 104 458.288 6
Hi High (pH 8-9.5) 4.33 10.21 -98.31 0 7 -2 107 457.28 6
Hi High (pH 8-9.5) 4.33 9.84 -95.77 0 7 -2 107 457.28 6

Activity (Go SEA)

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