UCSF

ZINC07976835

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2006 28 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) 2.22 -1.49 -18.09 1 8 0 102 406.46 8
Hi High (pH 8-9.5) 2.22 -0.91 -54.2 0 8 -1 104 405.452 8

Activity (Go SEA)

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