UCSF

ZINC36164659

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) -0.72 5.64 -16.02 1 6 0 86 283.335 5
Lo Low (pH 4.5-6) -0.72 6.11 -49.51 2 6 1 87 284.343 5

Activity (Go SEA)

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