UCSF

ZINC17779635

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2008 23 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) 4.17 7.71 -16.23 1 5 0 64 345.811 4
Mid Mid (pH 6-8) 4.24 6.8 -45.88 0 5 -1 70 344.803 4

Activity (Go SEA)

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