UCSF

ZINC45167684

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 31 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) 3.70 10.87 -44.45 2 6 1 63 457.385 6
Lo Low (pH 4.5-6) 3.70 11.18 -88.93 3 6 2 64 458.393 6

Activity (Go SEA)

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