UCSF

ZINC35871552

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 35 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) 6.12 14.74 -43.36 2 4 1 37 486.602 5
Mid Mid (pH 6-8) 6.12 12.51 -8.95 1 4 0 36 485.594 5

Activity (Go SEA)

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