UCSF

ZINC08606607

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2007 35 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) 4.11 6.69 -16.81 3 8 0 108 479.577 10
Hi High (pH 8-9.5) 4.11 7.51 -45.42 2 8 -1 111 478.569 10

Activity (Go SEA)

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