UCSF

ZINC18195082

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 28 Yes

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) 3.72 4.81 -16.25 5 6 0 111 394.5 3
Lo Low (pH 4.5-6) 3.72 5.08 -34.54 6 6 1 112 395.508 3

Activity (Go SEA)

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