UCSF

ZINC37873107

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 15 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) 2.26 4.38 -40.32 3 2 1 37 212.288 5
Hi High (pH 8-9.5) 2.26 3.19 -4.16 2 2 0 32 211.28 5

Activity (Go SEA)

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