UCSF

ZINC36913542

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 0.34 3.14 -82.84 6 5 2 88 272.352 2
Hi High (pH 8-9.5) 0.34 2.71 -43.61 5 5 1 87 271.344 2

Activity (Go SEA)

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