UCSF

ZINC06505965

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2006 25 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) 3.55 6.32 -9.2 2 8 0 120 379.159 3
Mid Mid (pH 6-8) 4.01 4.27 -46.26 1 8 -1 123 378.151 3
Mid Mid (pH 6-8) 4.01 4.57 -35.37 1 8 -1 123 378.151 3

Activity (Go SEA)

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