UCSF

ZINC19664202

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 30 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) 3.12 9.51 -17.1 1 7 0 85 416.441 4
Hi High (pH 8-9.5) 3.19 8.37 -58.73 0 7 -1 91 415.433 4

Activity (Go SEA)

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