UCSF

ZINC00661697

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 28 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) 4.75 8.7 -10.9 3 4 0 68 391.471 4
Lo Low (pH 4.5-6) 4.75 9.02 -36.89 4 4 1 69 392.479 4

Activity (Go SEA)

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