UCSF

ZINC01655450

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 19 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) 3.29 -1.83 -10.85 1 5 0 72 285.365 8
Hi High (pH 8-9.5) 3.29 -1.38 -45.6 0 5 -1 74 284.357 8

Activity (Go SEA)

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