UCSF

ZINC08701511

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 16 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) 2.08 2.88 -11.54 1 4 0 48 261.73 4
Hi High (pH 8-9.5) 2.08 3.42 -53.4 1 4 -1 48 260.722 4

Activity (Go SEA)

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