UCSF

ZINC00294137

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 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) 4.13 11.47 -38.12 1 2 1 8 281.423 3
Mid Mid (pH 6-8) 4.13 9.15 -3.16 0 2 0 6 280.415 3

Activity (Go SEA)

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