UCSF

ZINC13282205

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 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) 4.38 12.72 -7.5 0 7 0 65 415.925 3
Mid Mid (pH 6-8) 4.38 13.13 -36.35 1 7 1 66 416.933 3
Lo Low (pH 4.5-6) 4.38 14.43 -43.06 1 7 1 66 416.933 3

Activity (Go SEA)

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