UCSF

ZINC53194827

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2010 25 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) 3.59 9.14 -10.49 0 4 0 36 343.515 6
Mid Mid (pH 6-8) 3.59 9.14 -37.19 1 4 1 38 344.523 6
Lo Low (pH 4.5-6) 3.59 11.35 -45.71 1 4 1 38 344.523 6

Activity (Go SEA)

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