UCSF

ZINC20380640

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 14 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) 2.48 5.19 -5.76 1 2 0 36 192.237 4
Lo Low (pH 4.5-6) 2.48 6.47 -51.48 2 2 1 40 193.245 4

Activity (Go SEA)

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