UCSF

ZINC39061652

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 11 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) 1.40 2.61 -39.42 0 3 -1 64 146.125 1
Mid Mid (pH 6-8) 1.40 1.83 -9.9 1 3 0 61 147.133 1

Activity (Go SEA)

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