UCSF

ZINC20987236

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 30 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) 4.45 5.19 -42.76 1 6 -1 94 475.877 6
Hi High (pH 8-9.5) 4.45 5.26 -96.24 0 6 -2 96 474.869 6
Lo Low (pH 4.5-6) 4.45 5.12 -16.61 2 6 0 92 476.885 6

Activity (Go SEA)

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