UCSF

ZINC36818274

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 17 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) 2.27 3.65 -10.78 1 5 0 72 257.311 5
Mid Mid (pH 6-8) 2.27 3.7 -45.48 0 5 -1 75 256.303 5

Activity (Go SEA)

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