UCSF

ZINC36366474

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 31 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) 2.04 -0.12 -56.8 1 10 -1 134 414.405 4
Lo Low (pH 4.5-6) 1.58 1.76 -17.3 2 10 0 131 415.413 4
Lo Low (pH 4.5-6) 1.40 4.44 -16.78 2 10 0 128 415.413 4

Activity (Go SEA)

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