UCSF

ZINC70513859

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 3.65 7.04 -94.31 4 3 2 41 288.52 11
Hi High (pH 8-9.5) 3.65 7.53 -26.11 3 3 1 40 287.512 11

Activity (Go SEA)

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