UCSF

ZINC37793038

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.47 2.51 -46.53 3 6 -1 112 283.21 4
Lo Low (pH 4.5-6) 0.47 0.94 -14.93 4 6 0 109 284.218 4

Activity (Go SEA)

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