UCSF

ZINC37049891

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 1.42 2.09 -47.36 3 4 1 49 251.35 5
Mid Mid (pH 6-8) 1.42 4.41 -90.16 4 4 2 51 252.358 5

Activity (Go SEA)

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