UCSF

ZINC36104301

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 28 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) 4.72 11.99 -46.36 2 3 1 34 380.483 9
Hi High (pH 8-9.5) 4.72 9.95 -7.13 1 3 0 33 379.475 9

Activity (Go SEA)

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