UCSF

ZINC06187422

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 27 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) 2.39 7.56 -55.65 0 8 -1 115 367.337 5
Mid Mid (pH 6-8) 2.84 1.43 -22.13 1 8 0 112 368.345 4
Mid Mid (pH 6-8) 1.81 0.91 -14.82 0 8 0 109 368.345 5

Activity (Go SEA)

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