UCSF

ZINC04071063

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 26 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) 4.83 8.81 -8.12 2 6 0 77 360.454 10
Lo Low (pH 4.5-6) 4.46 7.23 -37.71 3 6 1 82 361.462 10

Activity (Go SEA)

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