UCSF

ZINC18254770

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 27 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) 5.25 9.01 -11.87 1 6 0 81 382.441 6
Mid Mid (pH 6-8) 4.75 8.45 -41.34 0 6 -1 80 381.433 7

Activity (Go SEA)

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