UCSF

ZINC64978113

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 33 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) 5.17 13.27 -15.18 1 5 0 53 461.993 7
Mid Mid (pH 6-8) 5.17 13.38 -33.31 2 5 0 54 463.001 7

Activity (Go SEA)

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