UCSF

ZINC20357364

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 35 Yes

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) 4.89 10.23 -45.64 2 8 1 77 517.745 8
Hi High (pH 8-9.5) 4.89 8 -8.91 1 8 0 76 516.737 8

Activity (Go SEA)

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