UCSF

ZINC08701513

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 15 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) 1.03 2.38 -11.05 1 4 0 48 225.269 3
Hi High (pH 8-9.5) 1.03 2.91 -51.09 1 4 -1 48 224.261 3

Activity (Go SEA)

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