UCSF

ZINC36519937

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 14 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) -4.40 -1.04 -77.94 5 6 0 114 201.226 3
Mid Mid (pH 6-8) -4.40 -1.02 -68.01 5 6 0 114 201.226 3
Mid Mid (pH 6-8) -4.40 -0.65 -143.29 6 6 1 116 202.234 3

Activity (Go SEA)

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