UCSF

ZINC35598038

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 31 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) 4.56 11.78 -35.72 2 5 1 50 415.561 7
Hi High (pH 8-9.5) 4.56 11.44 -12.16 1 5 0 48 414.553 7
Mid Mid (pH 6-8) 4.56 14 -99.82 3 5 2 51 416.569 7
Mid Mid (pH 6-8) 4.56 13.68 -44.99 2 5 1 50 415.561 7

Activity (Go SEA)

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