UCSF

ZINC70517084

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) 3.50 5.34 -43.3 4 3 1 57 284.379 6
Hi High (pH 8-9.5) 3.50 5.02 -5.97 3 3 0 55 283.371 6

Activity (Go SEA)

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