UCSF

ZINC31407714

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 24 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) 4.12 11.25 -58.71 0 5 -1 51 345.492 5
Mid Mid (pH 6-8) 3.39 11.12 -16.47 1 5 0 54 346.5 5

Activity (Go SEA)

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