UCSF

ZINC69569121

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2011 19 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) 1.16 4.75 -96.12 4 4 2 51 272.433 6
Hi High (pH 8-9.5) 1.16 3.46 -33.37 3 4 1 46 271.425 6

Activity (Go SEA)

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