UCSF

ZINC12419200

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 25 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) 2.76 -3.56 -13.44 3 6 0 86 359.451 4
Lo Low (pH 4.5-6) 2.76 6.62 -42.05 4 6 1 88 360.459 4

Activity (Go SEA)

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