UCSF

ZINC04131664

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 25 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) 3.31 9.04 -13.09 2 6 0 69 364.467 8
Hi High (pH 8-9.5) 2.56 8.05 -37.27 1 6 -1 75 363.459 7

Activity (Go SEA)

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