UCSF

ZINC50053788

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 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) 1.97 6.22 -30.04 1 5 1 53 281.376 8
Hi High (pH 8-9.5) 1.97 5.14 -7.07 0 5 0 52 280.368 8

Activity (Go SEA)

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