UCSF

ZINC04263876

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 30 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) 4.45 7.34 -17.32 2 6 0 92 393.402 3
Hi High (pH 8-9.5) 4.59 5.58 -49.29 1 6 -1 95 392.394 3

Activity (Go SEA)

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