UCSF

ZINC36613131

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 27 No

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) 0.58 8.83 -115.35 1 10 -2 168 410.385 7
Mid Mid (pH 6-8) 0.58 9.83 -174.48 0 10 -3 171 409.377 7

Activity (Go SEA)

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