UCSF

ZINC58367962

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 25 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) 3.82 8.42 -40.34 1 5 -1 70 360.503 5
Mid Mid (pH 6-8) 3.37 9.69 -10.98 2 5 0 67 361.511 5

Activity (Go SEA)

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