UCSF

ZINC06444660

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 28 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) 2.62 9.05 -56.09 0 6 -1 86 394.407 4
Mid Mid (pH 6-8) 3.07 -0.01 -19.13 1 6 0 83 395.415 3

Activity (Go SEA)

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