UCSF

ZINC49065497

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 18 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) 2.14 5.77 -11.42 1 4 0 53 244.294 3
Hi High (pH 8-9.5) 2.60 5.66 -43.63 0 4 -1 56 243.286 3

Activity (Go SEA)

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