UCSF

ZINC69209679

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2011 31 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) 4.18 10.03 -15.64 1 6 0 75 431.517 4
Hi High (pH 8-9.5) 4.64 8.64 -47.36 0 6 -1 78 430.509 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.