UCSF

ZINC13683121

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 28 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) 2.81 8.7 -18.77 2 6 0 82 377.444 6
Hi High (pH 8-9.5) 3.71 6.64 -61.51 1 6 -1 85 376.436 6

Activity (Go SEA)

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