UCSF

ZINC45168573

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 24 Yes

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) 3.95 4.25 -36.97 5 4 1 69 327.448 6
Hi High (pH 8-9.5) 3.95 4.57 -41.22 5 4 1 69 327.448 6

Activity (Go SEA)

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