UCSF

ZINC18090368

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 33 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) 2.37 5.16 -59.85 0 8 -1 91 451.499 8
Mid Mid (pH 6-8) 2.37 7.52 -70.81 1 8 0 93 452.507 8

Activity (Go SEA)

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