UCSF

ZINC04171047

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 25 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) 2.16 -6.36 -17.79 6 8 0 136 360.443 6
Lo Low (pH 4.5-6) 2.16 -6.13 -41.26 7 8 1 137 361.451 6
Lo Low (pH 4.5-6) 2.16 -5.97 -106.79 8 8 2 138 362.459 6

Activity (Go SEA)

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