UCSF

ZINC01838573

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 26 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) 4.93 8.85 -40.19 0 5 -1 63 432.319 6
Mid Mid (pH 6-8) 4.93 9.56 -12.8 1 5 0 60 433.327 6

Activity (Go SEA)

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