UCSF

ZINC37825552

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) -2.16 1.17 -58.65 3 6 1 105 237.283 5
Hi High (pH 8-9.5) -2.16 -0.18 -17.77 2 6 0 100 236.275 5

Activity (Go SEA)

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