UCSF

ZINC36182259

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 1.16 5.63 -43.71 1 5 1 43 291.371 4
Mid Mid (pH 6-8) 1.16 5.52 -46.24 1 5 1 43 291.371 4
Mid Mid (pH 6-8) 1.16 3.26 -10.28 0 5 0 42 290.363 4

Activity (Go SEA)

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