UCSF

ZINC36383936

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2009 25 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) 1.31 1.86 -13.6 1 7 0 79 369.487 6
Mid Mid (pH 6-8) 1.31 4.04 -44.67 2 7 1 80 370.495 6

Activity (Go SEA)

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