UCSF

ZINC36520035

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 16 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) -4.83 -3.33 -130.96 9 7 1 151 233.292 8
Mid Mid (pH 6-8) -4.83 -3.44 -101.54 9 7 1 151 233.292 8
Mid Mid (pH 6-8) -4.83 -2.92 -198.14 10 7 2 152 234.3 8

Activity (Go SEA)

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