UCSF

ZINC06276136

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 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) 1.15 7.28 -69.82 0 8 -1 113 364.337 4
Mid Mid (pH 6-8) 1.59 1.83 -24.2 1 8 0 109 365.345 3
Lo Low (pH 4.5-6) 1.59 1.94 -54.28 2 8 1 110 366.353 3

Activity (Go SEA)

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