UCSF

ZINC03872017

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 36 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) 1.61 -10.82 -63.03 6 13 -1 200 498.52 10
Lo Low (pH 4.5-6) -2.98 -10.64 -75.71 7 13 0 205 499.528 9

Activity (Go SEA)

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