UCSF

ZINC19354805

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 32 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) 4.28 6.41 -12.21 0 7 0 72 452.58 8
Mid Mid (pH 6-8) 4.28 8.74 -50.05 1 7 1 73 453.588 8

Activity (Go SEA)

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