UCSF

ZINC20352407

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 16 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) 1.44 4.12 -43.8 3 3 1 50 215.276 4
Lo Low (pH 4.5-6) 1.44 4.55 -94.71 4 3 2 51 216.284 4

Activity (Go SEA)

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