UCSF

ZINC10556638

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2007 29 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) 3.91 -4.9 -20.89 2 7 0 97 451.957 7
Hi High (pH 8-9.5) 3.91 -4.31 -55.1 1 7 -1 99 450.949 7

Activity (Go SEA)

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