UCSF

ZINC27734640

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 21 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) 1.69 1.11 -48.77 2 7 -1 111 322.347 2
Lo Low (pH 4.5-6) 0.11 1.8 -20.48 2 7 0 105 323.355 2
Lo Low (pH 4.5-6) 0.51 2.02 -53.78 2 7 -1 111 322.347 2

Activity (Go SEA)

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