UCSF

ZINC35021504

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 13 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) 2.14 6.95 -33.9 1 2 1 22 198.311 5
Mid Mid (pH 6-8) 2.14 4.93 -6.73 0 2 0 20 197.303 5

Activity (Go SEA)

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