UCSF

ZINC04478283

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 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) 3.04 2.93 -15.1 2 7 0 95 401.366 6
Mid Mid (pH 6-8) 3.04 3.32 -43.6 1 7 -1 98 400.358 6

Activity (Go SEA)

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