UCSF

ZINC34885341

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 31 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) -2.91 -5.97 -73.01 10 13 1 205 458.521 9
Hi High (pH 8-9.5) -2.18 -6.65 -67.36 8 13 -1 201 456.505 9
Mid Mid (pH 6-8) -2.91 -6.29 -30.68 9 13 0 204 457.513 9

Activity (Go SEA)

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