UCSF

ZINC43403751

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) -0.96 5.42 -103.04 3 6 2 59 267.377 4
Hi High (pH 8-9.5) -0.96 3.16 -50.53 2 6 1 58 266.369 4

Activity (Go SEA)

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