UCSF

ZINC35384847

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 17 No

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) -2.60 2.59 -45.55 3 7 0 106 243.263 7
Hi High (pH 8-9.5) -2.60 1.26 -58.9 2 7 -1 102 242.255 7

Activity (Go SEA)

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