UCSF

ZINC37873632

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 19 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) 1.32 2.7 -9.28 2 4 0 59 277.242 7
Mid Mid (pH 6-8) 1.32 4.11 -51.68 3 4 1 63 278.25 7

Activity (Go SEA)

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