UCSF

ZINC59798968

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2011 31 No

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) 3.21 12.15 -16.01 1 7 0 85 474.689 14
Lo Low (pH 4.5-6) 3.21 12.86 -38.92 2 7 1 90 475.697 14

Activity (Go SEA)

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