UCSF

ZINC06813740

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 26 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) 2.93 8.44 -58.9 0 5 -1 74 364.402 5
Mid Mid (pH 6-8) 2.35 8.62 -10.8 0 5 0 68 365.41 5
Mid Mid (pH 6-8) 3.38 8.78 -11.96 1 5 0 71 365.41 4

Activity (Go SEA)

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