UCSF

ZINC36709266

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 26 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) 1.74 8.98 -50.4 2 6 1 67 378.518 5
Hi High (pH 8-9.5) 1.93 6.83 -29.98 1 6 0 73 377.51 5

Activity (Go SEA)

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