UCSF

ZINC12428471

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 19 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) 2.61 -3.69 -14.27 3 4 0 68 342.193 1
Lo Low (pH 4.5-6) 2.61 -3.58 -43.15 4 4 1 69 343.201 1

Activity (Go SEA)

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