UCSF

ZINC36542279

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 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) 1.93 1.87 -44.37 4 6 1 79 360.459 3
Mid Mid (pH 6-8) 1.93 -0.53 -9.67 3 6 0 77 359.451 3

Activity (Go SEA)

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