UCSF

ZINC27326071

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 30 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) 0.32 8.68 -99.74 1 7 0 73 416.497 4
Hi High (pH 8-9.5) 0.32 6.43 -67.38 0 7 -1 72 415.489 4
Mid Mid (pH 6-8) -2.42 7.59 -88.34 2 7 1 76 417.505 3

Activity (Go SEA)

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