UCSF

ZINC52868995

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 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) 1.09 3.88 -13.62 1 5 0 53 309.797 4
Mid Mid (pH 6-8) 1.09 6.09 -55.24 2 5 1 54 310.805 4

Activity (Go SEA)

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