UCSF

ZINC06401051

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 20 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) 1.90 7.21 -39.85 0 5 -1 53 291.352 4
Mid Mid (pH 6-8) 1.90 7.29 -14.61 1 5 0 55 292.36 4

Activity (Go SEA)

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