UCSF

ZINC59698448

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 23 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) 2.42 3.52 -59.63 1 6 -1 87 333.389 6
Lo Low (pH 4.5-6) 2.42 3.48 -19.48 2 6 0 85 334.397 6

Activity (Go SEA)

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