UCSF

ZINC35430422

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 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) 3.34 9.61 -11.09 1 5 0 63 367.474 3
Lo Low (pH 4.5-6) 3.34 10.09 -37.74 2 5 1 65 368.482 3

Activity (Go SEA)

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