UCSF

ZINC00614403

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 26 No

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) 3.42 6.86 -8.97 3 5 0 84 340.386 3
Lo Low (pH 4.5-6) 3.42 7.32 -37.19 4 5 1 85 341.394 3

Activity (Go SEA)

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