UCSF

ZINC02291717

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 25 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) 6.70 0.62 -7.14 0 2 0 22 390.28 3
Lo Low (pH 4.5-6) 6.70 0.74 -29.07 1 2 1 23 391.288 3

Activity (Go SEA)

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