UCSF

ZINC06181508

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 34 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) 2.68 7.94 -33.16 2 8 0 109 483.59 7
Hi High (pH 8-9.5) 3.98 6.81 -118.14 0 8 -2 114 481.574 7
Mid Mid (pH 6-8) 3.98 6.76 -59.09 1 8 -1 112 482.582 7

Activity (Go SEA)

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