UCSF

ZINC43418789

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 2.29 6.19 -43.08 4 4 1 63 268.356 7
Hi High (pH 8-9.5) 2.29 4.4 -5.81 3 4 0 62 267.348 7

Activity (Go SEA)

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