UCSF

ZINC36828836

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 21 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) 1.92 4.04 -12.18 1 5 0 70 306.387 5
Hi High (pH 8-9.5) 2.37 2.35 -47.19 0 5 -1 73 305.379 5

Activity (Go SEA)

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