UCSF

ZINC35828934

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 37 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) 2.99 9.22 -13.39 0 9 0 86 504.587 7
Mid Mid (pH 6-8) 2.99 9.86 -39.49 1 9 1 88 505.595 7

Activity (Go SEA)

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