UCSF

ZINC36333828

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 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) 0.24 0.99 -53.5 1 8 -1 125 268.23 4
Hi High (pH 8-9.5) 0.24 0.83 -99.43 0 8 -2 127 267.222 4

Activity (Go SEA)

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

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