UCSF

ZINC18251778

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 21 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) 3.86 8.79 -6.44 1 3 0 41 316.813 3
Ref Reference (pH 7) 3.86 9.2 -6.79 1 3 0 41 316.813 3
Mid Mid (pH 6-8) 3.86 8.64 -36.09 0 3 -1 44 315.805 4
Lo Low (pH 4.5-6) 3.86 9.07 -11.98 1 3 0 41 316.813 4

Activity (Go SEA)

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