UCSF

ZINC36639435

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 26 Yes

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) 5.69 11.79 -19.69 1 4 0 51 451.773 6
Hi High (pH 8-9.5) 5.87 9.4 -47.62 0 4 -1 58 450.765 6

Activity (Go SEA)

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