UCSF

ZINC08681557

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2007 38 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) 4.92 10.93 -19.45 3 11 0 157 534.606 11
Hi High (pH 8-9.5) 4.92 11.92 -57.91 2 11 -1 160 533.598 11

Activity (Go SEA)

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