UCSF

ZINC28225704

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 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) 8.69 18.51 -51.13 0 3 -1 49 437.644 17
Lo Low (pH 4.5-6) 8.69 17.39 -10.26 1 3 0 47 438.652 17

Activity (Go SEA)

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