UCSF

ZINC44291658

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 18 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) 2.54 3.83 -46.74 2 5 1 65 248.306 6
Hi High (pH 8-9.5) 2.54 2.47 -7.15 1 5 0 60 247.298 6

Activity (Go SEA)

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