UCSF

ZINC43076474

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 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) 3.80 11.16 -36.24 1 3 1 28 279.363 4
Mid Mid (pH 6-8) 3.80 10.34 -9.51 0 3 0 27 278.355 4

Activity (Go SEA)

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