UCSF

ZINC48235153

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 21 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) -0.14 6.19 -10.15 0 6 0 66 286.335 4
Lo Low (pH 4.5-6) -0.14 6.65 -43.16 1 6 1 67 287.343 4

Activity (Go SEA)

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