UCSF

ZINC37873817

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 21 No

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) 1.61 2.97 -65.68 3 4 1 71 306.407 4
Hi High (pH 8-9.5) 1.61 1.81 -14.26 2 4 0 66 305.399 4

Activity (Go SEA)

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