UCSF

ZINC62460045

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 18 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) 0.59 4.27 -11.99 2 6 0 87 267.358 7
Lo Low (pH 4.5-6) 0.59 5.3 -58.57 3 6 1 91 268.366 7

Activity (Go SEA)

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

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