UCSF

ZINC13736147

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 29 Yes

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) 2.66 7.08 -21.37 1 7 0 69 394.475 6
Mid Mid (pH 6-8) 2.73 4.86 -16.61 1 7 0 72 394.475 6
Mid Mid (pH 6-8) 2.73 7.09 -55.2 2 7 1 73 395.483 6
Mid Mid (pH 6-8) 2.66 9.3 -58.88 2 7 1 70 395.483 6
Mid Mid (pH 6-8) 2.66 7.5 -34.42 2 7 1 70 395.483 6

Activity (Go SEA)

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