UCSF

ZINC18188240

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 25 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) 4.74 7.97 -10.8 1 5 0 64 354.431 4
Ref Reference (pH 7) 4.74 8.4 -11.03 1 5 0 64 354.431 4
Mid Mid (pH 6-8) 4.25 7.96 -43.12 0 5 -1 63 353.423 5
Lo Low (pH 4.5-6) 4.25 8.33 -16.38 1 5 0 60 354.431 5

Activity (Go SEA)

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