UCSF

ZINC34885469

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 32 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) -2.64 -5.12 -72.23 10 13 1 205 472.548 10
Hi High (pH 8-9.5) -1.91 -5.82 -63.75 8 13 -1 201 470.532 10
Mid Mid (pH 6-8) -2.64 -5.46 -32.42 9 13 0 204 471.54 10

Activity (Go SEA)

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