UCSF

ZINC36828538

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 18 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) -0.64 -0.14 -48.13 3 6 1 83 294.422 3
Mid Mid (pH 6-8) -0.64 -1.34 -16.16 2 6 0 79 293.414 3

Activity (Go SEA)

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