UCSF

ZINC37246759

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 15 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) 0.94 4.15 -86.36 3 3 2 24 213.369 3
Mid Mid (pH 6-8) 0.94 1.88 -38.18 2 3 1 23 212.361 3

Activity (Go SEA)

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