UCSF

ZINC35020422

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 2.08 5.71 -36.52 1 3 1 25 259.782 3
Mid Mid (pH 6-8) 2.08 3.33 -5.28 0 3 0 24 258.774 3

Activity (Go SEA)

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