UCSF

ZINC06409572

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 27 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) 4.24 8.83 -20.33 2 6 0 80 408.955 7
Hi High (pH 8-9.5) 4.24 8.68 -44.28 1 6 -1 78 407.947 7

Activity (Go SEA)

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