UCSF

ZINC36981888

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 5.59 6.03 -4.79 2 3 0 41 411.51 4
Mid Mid (pH 6-8) 5.59 6.78 -31.02 1 3 -1 44 410.502 4

Activity (Go SEA)

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