UCSF

ZINC36233459

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 0.90 -0.49 -12.06 4 6 0 105 313.404 4
Mid Mid (pH 6-8) 1.36 -2.42 -42.68 3 6 -1 108 312.396 4

Activity (Go SEA)

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