UCSF

ZINC23363964

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 28 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) 3.66 7.12 -25.48 2 7 0 101 416.528 8
Hi High (pH 8-9.5) 3.73 6.28 -99.61 0 7 -2 109 414.512 8
Hi High (pH 8-9.5) 3.73 6.21 -51.36 1 7 -1 107 415.52 8
Mid Mid (pH 6-8) 3.66 7.18 -52.82 1 7 -1 103 415.52 8

Activity (Go SEA)

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