UCSF

ZINC18227721

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 35 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) 2.04 1.8 -34.31 4 12 0 167 478.465 8
Hi High (pH 8-9.5) 2.50 0.16 -60.83 3 12 -1 170 477.457 8
Hi High (pH 8-9.5) 2.50 -0.11 -73.83 3 12 -1 170 477.457 8
Hi High (pH 8-9.5) 2.50 0.04 -64.43 3 12 -1 170 477.457 8

Activity (Go SEA)

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