UCSF

ZINC21434135

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2008 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) 2.64 6.88 -46.82 3 6 1 66 403.453 7
Hi High (pH 8-9.5) 2.64 6.88 -45.99 3 6 1 66 403.453 7
Hi High (pH 8-9.5) 2.64 4.65 -19.41 2 6 0 65 402.445 7

Activity (Go SEA)

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