UCSF

ZINC63648870

Substance Information

In ZINC since Heavy atoms Benign functionality
June 3rd, 2011 29 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) 4.18 15.91 -99.26 2 5 2 42 394.563 8
Hi High (pH 8-9.5) 4.18 13.41 -28.25 1 5 1 41 393.555 8

Activity (Go SEA)

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