UCSF

ZINC35022196

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 3.28 10.64 -34.45 1 3 1 26 251.394 9
Hi High (pH 8-9.5) 3.28 8.66 -7.79 0 3 0 25 250.386 9

Activity (Go SEA)

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