UCSF

ZINC12551177

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 30 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) 1.44 6.96 -21.58 0 7 0 74 428.558 5
Lo Low (pH 4.5-6) 1.44 9.47 -127 2 7 2 76 430.574 5

Activity (Go SEA)

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