UCSF

ZINC35512321

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 36 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) 4.40 14.8 -10.97 0 6 0 43 477.612 4
Mid Mid (pH 6-8) 4.40 15.26 -43.92 1 6 1 44 478.62 4

Activity (Go SEA)

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