UCSF

ZINC18182092

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 31 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) 1.68 7.97 -56.75 0 7 -1 95 414.441 6
Lo Low (pH 4.5-6) 1.68 7.15 -16 1 7 0 93 415.449 6

Activity (Go SEA)

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