UCSF

ZINC35450256

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 32 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) 2.03 12.99 -59.57 1 8 1 82 436.536 6
Mid Mid (pH 6-8) 2.03 10.79 -21.56 0 8 0 80 435.528 6

Activity (Go SEA)

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