UCSF

ZINC10386538

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2007 22 No

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) 3.63 7.18 -18.35 1 7 0 104 332.366 3
Hi High (pH 8-9.5) 4.09 6.03 -43.25 0 7 -1 107 331.358 3
Lo Low (pH 4.5-6) 3.63 7.8 -43.86 2 7 1 106 333.374 3

Activity (Go SEA)

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