UCSF

ZINC20968037

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 20 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) 0.82 3 -125.83 5 5 2 72 284.4 11
Lo Low (pH 4.5-6) 0.82 1.57 -43.21 4 5 1 67 283.392 11

Activity (Go SEA)

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