UCSF

ZINC39849589

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 30 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) 1.82 10.84 -74.76 1 9 0 124 411.414 8
Lo Low (pH 4.5-6) 1.82 9.95 -58.09 2 9 1 121 412.422 8

Activity (Go SEA)

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