UCSF

ZINC37195071

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 23 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) 1.60 5.18 -38.54 4 5 1 77 316.425 4
Hi High (pH 8-9.5) 1.60 3.22 -15.16 3 5 0 75 315.417 4

Activity (Go SEA)

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