UCSF

ZINC36639724

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 30 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) 3.67 6.12 -23.66 3 7 0 115 439.518 5
Hi High (pH 8-9.5) 3.73 4.72 -56.27 2 7 -1 122 438.51 5

Activity (Go SEA)

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