UCSF

ZINC39849419

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 33 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) 3.31 12.48 -76.23 1 7 0 87 452.551 12
Lo Low (pH 4.5-6) 3.31 11.59 -48.9 2 7 1 84 453.559 12

Activity (Go SEA)

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