UCSF

ZINC00617840

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 2.81 8.87 -21.57 0 4 0 38 243.31 1
Mid Mid (pH 6-8) 2.81 9.37 -27.79 1 4 1 39 244.318 1

Activity (Go SEA)

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