UCSF

ZINC02401476

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) 1.34 10.3 -126.89 0 7 -2 111 391.426 8
Lo Low (pH 4.5-6) 1.34 8.3 -53.96 1 7 -1 109 392.434 8

Activity (Go SEA)

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