UCSF

ZINC34979939

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 3.92 11.1 -12.61 0 3 0 35 278.355 4
Lo Low (pH 4.5-6) 3.92 11.58 -29.4 1 3 1 36 279.363 4

Activity (Go SEA)

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