UCSF

ZINC36778656

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) 4.43 5.99 -5.16 2 2 0 32 314.187 5
Hi High (pH 8-9.5) 4.43 6.74 -35.56 1 2 -1 35 313.179 5
Lo Low (pH 4.5-6) 4.43 7.38 -50.34 3 2 1 37 315.195 5

Activity (Go SEA)

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