UCSF

ZINC44405058

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 35 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) 6.80 13.88 -184.28 5 6 3 63 499.849 12
Mid Mid (pH 6-8) 6.80 12.04 -86.27 4 6 2 61 498.841 12
Mid Mid (pH 6-8) 6.80 11.12 -109.47 4 6 2 61 498.841 12

Activity (Go SEA)

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