UCSF

ZINC66251678

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2011 35 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) 6.12 13.32 -108.13 1 5 -2 100 484.677 3
Lo Low (pH 4.5-6) 6.12 11.59 -49.89 2 5 -1 98 485.685 3

Activity (Go SEA)

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