UCSF

ZINC37997397

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.10 6.64 -50.35 3 3 1 46 420.096 5
Hi High (pH 8-9.5) 4.10 6.15 -45.09 1 3 -1 44 418.08 5
Mid Mid (pH 6-8) 4.10 5.23 -6.99 2 3 0 41 419.088 5

Activity (Go SEA)

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