UCSF

ZINC06175133

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2006 28 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) 1.70 4.54 -19.27 3 10 0 149 381.348 5
Mid Mid (pH 6-8) 2.16 2.67 -43.57 2 10 -1 152 380.34 5

Activity (Go SEA)

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