UCSF

ZINC37785933

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 2.39 3.18 -14.11 2 5 0 63 274.32 4
Hi High (pH 8-9.5) 2.39 3.93 -46.2 1 5 -1 66 273.312 4

Activity (Go SEA)

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