UCSF

ZINC36781707

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 1.20 4.79 -57.61 2 6 -1 98 283.348 6
Lo Low (pH 4.5-6) 1.20 2.81 -13.62 3 6 0 95 284.356 6

Activity (Go SEA)

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