UCSF

ZINC02921408

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 37 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) 8.01 -2.01 -14.31 3 4 0 69 480.567 5
Mid Mid (pH 6-8) 8.01 -1.81 -37.69 4 4 1 70 481.575 5

Activity (Go SEA)

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