UCSF

ZINC35025409

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 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) 2.18 10 -79.54 1 8 0 96 440.496 10
Lo Low (pH 4.5-6) 2.18 9.11 -55.73 2 8 1 94 441.504 10

Activity (Go SEA)

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