UCSF

ZINC51649966

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2010 22 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) 1.35 4.6 -9.76 1 8 0 88 311.386 6
Mid Mid (pH 6-8) 1.35 6.87 -51 2 8 1 89 312.394 6

Activity (Go SEA)

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