UCSF

ZINC06156997

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2006 32 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) 2.60 8.45 -60.2 0 7 -1 92 429.452 7
Mid Mid (pH 6-8) 3.05 0.54 -21.34 1 7 0 88 430.46 6
Lo Low (pH 4.5-6) 2.60 8.07 -56.52 2 7 1 90 431.468 7

Activity (Go SEA)

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