UCSF

ZINC02564538

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

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) -1.97 1.99 -59.72 4 5 0 97 202.254 5
Hi High (pH 8-9.5) -1.97 1.69 -42.55 3 5 -1 95 201.246 5

Activity (Go SEA)

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