UCSF

ZINC15011877

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 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) 4.44 8.8 -42.46 0 5 -1 63 365.434 7
Mid Mid (pH 6-8) 4.44 9.23 -18.62 1 5 0 60 366.442 7

Activity (Go SEA)

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