UCSF

ZINC38539753

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 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) 1.78 3.82 -47.7 3 2 1 31 243.733 2
Mid Mid (pH 6-8) 1.78 6.05 -126.01 4 2 2 32 244.741 2

Activity (Go SEA)

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