UCSF

ZINC70513682

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 1.87 6.03 -92.46 4 4 2 54 295.471 11
Hi High (pH 8-9.5) 1.87 3.72 -35.4 3 4 1 53 294.463 11

Activity (Go SEA)

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