UCSF

ZINC49543319

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 33 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) 3.00 5.56 -67 1 9 -1 115 451.455 7
Ref Reference (pH 7) 2.81 8.17 -59.27 1 9 -1 111 451.455 7
Lo Low (pH 4.5-6) 3.00 6.63 -45.9 2 9 0 116 452.463 7

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.