UCSF

ZINC00041974

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 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) 1.23 -3.01 -17.74 5 10 0 144 350.331 5
Hi High (pH 8-9.5) 0.77 -4.21 -53.58 6 10 0 160 350.331 5

Activity (Go SEA)

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