UCSF

ZINC09240452

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 35 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) 4.05 12.18 -14.25 0 7 0 82 490.943 6
Lo Low (pH 4.5-6) 4.05 2.23 -43.96 1 7 1 83 491.951 6

Activity (Go SEA)

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