UCSF

ZINC18941188

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 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) 3.17 6.66 -15.92 1 8 0 93 458.565 7
Lo Low (pH 4.5-6) 3.17 7 -42 2 8 1 94 459.573 7
Lo Low (pH 4.5-6) 4.10 6.85 -16.81 1 8 0 96 458.565 6

Activity (Go SEA)

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