UCSF

ZINC19919715

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 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) 4.20 8.27 -3.59 1 1 0 12 308.194 5
Lo Low (pH 4.5-6) 4.20 9.69 -43.79 2 1 1 17 309.202 5

Activity (Go SEA)

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