UCSF

ZINC34891272

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 32 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) 4.90 6.78 -59.99 1 8 -1 105 453.475 7
Lo Low (pH 4.5-6) 4.90 6.99 -17.33 2 8 0 102 454.483 7

Activity (Go SEA)

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