UCSF

ZINC43461028

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 4.73 9.71 -13.09 1 3 0 42 338.208 2
Mid Mid (pH 6-8) 4.73 9.26 -39.31 0 3 -1 40 337.2 2

Activity (Go SEA)

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