UCSF

ZINC35919050

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2009 30 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) 3.21 11.03 -49.67 2 6 1 66 408.522 10
Hi High (pH 8-9.5) 3.21 9.7 -12.79 1 6 0 62 407.514 10

Activity (Go SEA)

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