UCSF

ZINC53570443

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 23 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) 2.37 4.56 -39.62 2 6 -1 94 345.429 3
Mid Mid (pH 6-8) 1.91 5.89 -14.74 3 6 0 91 346.437 3

Activity (Go SEA)

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