UCSF

ZINC35598291

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 32 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) 1.88 8.56 -19.14 1 7 0 74 427.508 5
Mid Mid (pH 6-8) 1.88 10.76 -62.78 2 7 1 75 428.516 5
Mid Mid (pH 6-8) 1.88 10.58 -44.23 2 7 1 75 428.516 5
Lo Low (pH 4.5-6) 1.88 11.48 -138.58 3 7 2 77 429.524 5

Activity (Go SEA)

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