UCSF

ZINC06314052

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 27 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) 1.99 7.69 -55.87 0 6 -1 83 365.409 7
Mid Mid (pH 6-8) 2.43 -0.89 -25.32 1 6 0 79 366.417 6
Mid Mid (pH 6-8) 1.40 -0.6 -17.09 0 6 0 76 366.417 7

Activity (Go SEA)

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