UCSF

ZINC36780889

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 2.55 5.76 -51.43 3 6 1 92 286.739 7
Mid Mid (pH 6-8) 2.55 4.4 -11.4 2 6 0 87 285.731 7

Activity (Go SEA)

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