UCSF

ZINC20406426

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 22 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) 2.71 8.13 -40.77 1 4 1 34 305.442 8
Hi High (pH 8-9.5) 2.71 6.01 -10.3 0 4 0 33 304.434 8

Activity (Go SEA)

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