UCSF

ZINC17654573

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2008 24 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) -1.23 -4.6 -14.06 4 9 0 145 334.332 4
Mid Mid (pH 6-8) -1.23 -2.86 -59.43 5 9 1 139 335.34 4
Mid Mid (pH 6-8) -1.23 -4.6 -12.6 4 9 0 145 334.332 4

Activity (Go SEA)

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