UCSF

ZINC25525522

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 0.89 1.08 -29.44 3 8 0 127 409.489 5
Hi High (pH 8-9.5) 0.89 1.76 -57.77 2 8 -1 124 408.481 5
Hi High (pH 8-9.5) 0.89 1.83 -106.18 1 8 -2 126 407.473 5
Mid Mid (pH 6-8) 0.89 1.15 -63.26 2 8 -1 129 408.481 5

Activity (Go SEA)

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