UCSF

ZINC40082099

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 25 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) 1.74 7.58 -29.73 1 7 0 84 380.857 4
Hi High (pH 8-9.5) 1.93 5.1 -66.69 0 7 -1 91 379.849 4

Activity (Go SEA)

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