UCSF

ZINC35808698

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 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) 4.52 11.37 -98.79 3 7 2 95 436.508 6
Hi High (pH 8-9.5) 4.25 10.76 -19.5 1 7 0 89 434.492 7

Activity (Go SEA)

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