UCSF

ZINC22130570

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 23 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) 4.86 7.6 -42.86 1 4 -1 76 366.611 3
Hi High (pH 8-9.5) 5.05 6.17 -90.38 0 4 -2 82 365.603 3
Mid Mid (pH 6-8) 4.86 6.95 -11.03 2 4 0 73 367.619 3

Activity (Go SEA)

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