UCSF

ZINC08582787

Substance Information

In ZINC since Heavy atoms Benign functionality
June 6th, 2007 28 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) 4.29 10.99 -14.27 2 6 0 78 396.878 4
Hi High (pH 8-9.5) 4.75 7.67 -58.34 1 6 -1 81 395.87 4

Activity (Go SEA)

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