UCSF

ZINC20467656

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 21 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) 2.86 2.24 -40.69 2 6 -1 96 391.654 4
Mid Mid (pH 6-8) 2.86 2.25 -9.03 3 6 0 94 392.662 4

Activity (Go SEA)

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