UCSF

ZINC37847555

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) 2.10 2.86 -43.18 3 4 1 55 274.768 8
Hi High (pH 8-9.5) 2.10 1.65 -7.17 2 4 0 51 273.76 8

Activity (Go SEA)

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