UCSF

ZINC12217350

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 31 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) 3.21 -1.66 -20.14 1 5 0 62 437.971 6
Lo Low (pH 4.5-6) 3.21 -1.52 -42.09 2 5 1 64 438.979 6

Activity (Go SEA)

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