UCSF

ZINC37818990

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -1.16 0.05 -49.32 4 6 1 83 257.358 6
Hi High (pH 8-9.5) -1.16 -1.31 -15.54 3 6 0 79 256.35 6

Activity (Go SEA)

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