UCSF

ZINC36612046

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 30 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) 0.84 7.29 -16.41 0 8 0 72 409.538 4
Mid Mid (pH 6-8) 0.84 9.51 -59.63 1 8 1 73 410.546 4

Activity (Go SEA)

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