UCSF

ZINC35127362

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 18 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) 1.88 7.2 -11.73 0 3 0 33 305.175 3
Lo Low (pH 4.5-6) 1.88 7.66 -34.63 1 3 1 34 306.183 3

Activity (Go SEA)

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