UCSF

ZINC52063008

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 17 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) 0.14 5.33 -52.13 3 4 1 51 256.395 3
Mid Mid (pH 6-8) 0.14 3.17 -16.57 2 4 0 50 255.387 3

Activity (Go SEA)

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