UCSF

ZINC35505091

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 25 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) 2.09 8.55 -46.99 1 6 1 54 360.507 3
Mid Mid (pH 6-8) 2.09 6.34 -11.16 0 6 0 53 359.499 3

Activity (Go SEA)

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