UCSF

ZINC21698468

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 31 No

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) 1.64 7.6 -47.48 3 8 1 86 423.493 7
Hi High (pH 8-9.5) 1.64 4.65 -11.15 2 8 0 85 422.485 7

Activity (Go SEA)

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