UCSF

ZINC13551839

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 34 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) 2.76 10.1 -72.64 1 8 0 93 468.55 10
Mid Mid (pH 6-8) 3.20 8.95 -56.95 2 8 1 90 469.558 9

Activity (Go SEA)

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