UCSF

ZINC35019999

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 2.48 7.4 -7.86 0 3 0 30 273.376 3
Lo Low (pH 4.5-6) 2.48 9.27 -40.71 1 3 1 31 274.384 3

Activity (Go SEA)

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