UCSF

ZINC35151201

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 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) 4.22 8.04 -39.87 2 2 1 26 289.226 4
Mid Mid (pH 6-8) 4.22 6.9 -1.86 1 2 0 21 288.218 4

Activity (Go SEA)

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