UCSF

ZINC09463937

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 33 No

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) 2.93 8.81 -43.58 0 9 -1 122 467.479 7
Mid Mid (pH 6-8) 3.38 7.49 -31.73 1 9 0 119 468.487 6
Mid Mid (pH 6-8) 2.35 8.47 -25.84 0 9 0 116 468.487 7

Activity (Go SEA)

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