UCSF

ZINC33813630

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 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) 4.53 11.22 -55.85 0 6 -1 86 500.987 6
Lo Low (pH 4.5-6) 4.53 11.24 -16.61 1 6 0 83 501.995 6

Activity (Go SEA)

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