UCSF

ZINC52714512

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2010 27 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) 3.33 7.53 -43.65 2 6 1 61 371.457 8
Hi High (pH 8-9.5) 3.33 5.17 -10.77 1 6 0 60 370.449 8

Activity (Go SEA)

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