UCSF

ZINC00373033

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 1.92 0.93 -55.06 1 5 -1 82 269.346 4
Lo Low (pH 4.5-6) 2.29 2.54 -12.57 2 5 0 75 270.354 3

Activity (Go SEA)

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