UCSF

ZINC34865925

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 25 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) -0.38 0.74 -58.68 5 8 1 119 345.379 6
Hi High (pH 8-9.5) -0.38 1.63 -59.23 3 8 -1 121 343.363 6
Mid Mid (pH 6-8) -0.38 0.42 -19.88 4 8 0 118 344.371 6

Activity (Go SEA)

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