UCSF

ZINC35384920

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 17 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) -1.75 5.61 -41.03 2 7 0 96 236.231 5
Hi High (pH 8-9.5) -1.75 4.26 -53.65 1 7 -1 91 235.223 5

Activity (Go SEA)

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