UCSF

ZINC04833190

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 18 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) 2.83 8.97 -56.46 2 4 1 62 243.286 5
Mid Mid (pH 6-8) 2.83 7.61 -8.54 1 4 0 58 242.278 5

Activity (Go SEA)

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