UCSF

ZINC35025823

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 36 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) 1.64 8.21 -61.62 0 9 -1 110 487.488 7
Lo Low (pH 4.5-6) 1.64 7.46 -19.73 1 9 0 107 488.496 7
Lo Low (pH 4.5-6) 1.64 7.91 -57.71 2 9 1 109 489.504 7

Activity (Go SEA)

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