UCSF

ZINC37309601

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 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) 4.49 10.78 -55.7 0 4 -1 58 273.356 7
Mid Mid (pH 6-8) 4.49 11.07 -51.49 1 4 0 59 274.364 7

Activity (Go SEA)

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