UCSF

ZINC06381227

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 30 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) 4.37 11.74 -62.99 0 5 -1 70 406.502 8
Mid Mid (pH 6-8) 4.37 1.29 -11.42 1 5 0 66 407.51 8
Mid Mid (pH 6-8) 3.79 1.06 -10.47 0 5 0 63 407.51 8

Activity (Go SEA)

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