UCSF

ZINC45201848

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 27 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) 4.42 10.29 -79.99 3 4 2 34 364.537 6
Hi High (pH 8-9.5) 4.42 8.04 -23.95 2 4 1 33 363.529 6

Activity (Go SEA)

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