UCSF

ZINC00129413

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 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) 2.21 -1.31 -12.57 2 4 0 62 304.349 4
Lo Low (pH 4.5-6) 2.21 -1.66 -29.73 3 4 1 63 305.357 4

Activity (Go SEA)

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