UCSF

ZINC20256358

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.73 3.27 -53.26 2 5 -1 81 229.3 7
Lo Low (pH 4.5-6) 1.73 2.15 -15.51 3 5 0 78 230.308 7

Activity (Go SEA)

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