UCSF

ZINC08756616

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 27 No

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) 5.62 9.04 -13.66 2 6 0 84 430.302 6
Hi High (pH 8-9.5) 5.62 10.05 -56.41 1 6 -1 87 429.294 6
Hi High (pH 8-9.5) 5.62 9.88 -60.58 1 6 -1 87 429.294 6

Activity (Go SEA)

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