UCSF

ZINC06423991

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 28 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) 3.44 11.07 -57.58 0 5 -1 74 372.4 6
Mid Mid (pH 6-8) 3.44 9.82 -12.43 1 5 0 71 373.408 6
Mid Mid (pH 6-8) 2.86 10.2 -11.19 0 5 0 68 373.408 6

Activity (Go SEA)

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