UCSF

ZINC02582666

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 18 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) 3.84 -0.01 -7.92 2 3 0 48 262.378 3
Lo Low (pH 4.5-6) 3.84 0 -25.83 3 3 1 49 263.386 3

Activity (Go SEA)

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