UCSF

ZINC36204043

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 23 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) 2.79 8.11 -50.72 2 5 1 59 330.433 5
Hi High (pH 8-9.5) 3.24 5.67 -43.2 1 5 0 63 329.425 5

Activity (Go SEA)

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