UCSF

ZINC49068525

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 25 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) -2.02 5.25 -131.91 7 7 1 132 345.423 6
Hi High (pH 8-9.5) -2.02 4.94 -96.28 6 7 0 130 344.415 6

Activity (Go SEA)

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