UCSF

ZINC58162241

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2011 27 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) 0.79 2.75 -21.15 3 8 0 108 378.473 4
Hi High (pH 8-9.5) 0.97 0.1 -51.72 2 8 -1 114 377.465 4

Activity (Go SEA)

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