UCSF

ZINC01848975

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 24 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) 5.44 8.81 -35.85 0 4 -1 53 378.26 4
Mid Mid (pH 6-8) 5.44 9.18 -10.25 1 4 0 51 379.268 4

Activity (Go SEA)

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