UCSF

ZINC16699806

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 34 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) 4.53 11.3 -39.73 0 6 -1 79 460.481 9
Mid Mid (pH 6-8) 4.97 9.76 -26.96 1 6 0 76 461.489 8
Mid Mid (pH 6-8) 3.94 10.76 -20.44 0 6 0 73 461.489 9

Activity (Go SEA)

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