UCSF

ZINC03232681

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 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) 3.71 9.56 -47.47 2 3 1 34 346.248 3
Mid Mid (pH 6-8) 3.71 7.36 -10.51 1 3 0 32 345.24 3

Activity (Go SEA)

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