UCSF

ZINC03117550

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 21 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) 4.84 7.6 -49.4 0 3 -1 52 296.733 1
Mid Mid (pH 6-8) 4.84 6.74 -9.48 1 3 0 50 297.741 1

Activity (Go SEA)

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