UCSF

ZINC05563529

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 25 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) 4.15 11.1 -48.75 1 6 -1 72 351.459 4
Mid Mid (pH 6-8) 3.42 -2.14 -11.98 2 6 0 74 352.467 4

Activity (Go SEA)

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