UCSF

ZINC36787054

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 2.89 7.32 -6.79 2 3 0 42 243.354 3
Mid Mid (pH 6-8) 2.89 7.3 -22.76 3 3 1 43 244.362 3

Activity (Go SEA)

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